(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine

C55H70N4O4S4 — CID 161149333

IUPAC(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCN(C)CCC(O)c1cccs1.CN(C)CC[C@H](O)c1cccs1.CN(C)CC[C@H](Oc1ccc2ccccc2c1)c1cccs1.CNCC[C@H](Oc1ccc2ccccc2c1)c1cccs1
InChIInChI=1S/C19H21NOS.C18H19NOS.2C9H15NOS/c1-20(2)12-11-18(19-8-5-13-22-19)21-17-10-9-15-6-3-4-7-16(15)14-17;1-19-11-10-17(18-7-4-12-21-18)20-16-9-8-14-5-2-3-6-15(14)13-16;2*1-10(2)6-5-8(11)9-4-3-7-12-9/h3-10,13-14,18H,11-12H2,1-2H3;2-9,12-13,17,19H,10-11H2,1H3;2*3-4,7-8,11H,5-6H2,1-2H3/t18-;17-;8-;/m000./s1
InChIKeyUOLQSICNKWABOO-VVPHZVEESA-N
MW979.46 g/mol
LogP13.07
Rot. Bonds20

About (1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine

(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine (PubChem CID 161149333) has the molecular formula C55H70N4O4S4 and a molecular weight of 979.46 g/mol. Its IUPAC name is (1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
PubChem CID161149333
Molecular FormulaC55H70N4O4S4
Molecular Weight979.46 g/mol
Exact Mass978.43
IUPAC Name(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCN(C)CCC(O)c1cccs1.CN(C)CC[C@H](O)c1cccs1.CN(C)CC[C@H](Oc1ccc2ccccc2c1)c1cccs1.CNCC[C@H](Oc1ccc2ccccc2c1)c1cccs1
InChIInChI=1S/C19H21NOS.C18H19NOS.2C9H15NOS/c1-20(2)12-11-18(19-8-5-13-22-19)21-17-10-9-15-6-3-4-7-16(15)14-17;1-19-11-10-17(18-7-4-12-21-18)20-16-9-8-14-5-2-3-6-15(14)13-16;2*1-10(2)6-5-8(11)9-4-3-7-12-9/h3-10,13-14,18H,11-12H2,1-2H3;2-9,12-13,17,19H,10-11H2,1H3;2*3-4,7-8,11H,5-6H2,1-2H3/t18-;17-;8-;/m000./s1
InChIKeyUOLQSICNKWABOO-VVPHZVEESA-N
XLogP13.07
TPSA80.67 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.46
LogP ≤ 513.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze (1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
CID 158318321
(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
CID 59167065
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 159846692
acetic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 67283492
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic acid
CID 11639633
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-naphthalen-2-yloxyacetamide
CID 90524092
2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol
CID 90229934
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 68611917
N-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine
CID 59403145
sodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride
CID 160572961
(Z)-but-2-enedioic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 23649462
2-hydroxy-2-phenylacetic acid;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 24816199

Frequently Asked Questions

What is the IUPAC name of (1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine (CID 161149333) is (1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine is CN(C)CCC(O)c1cccs1.CN(C)CC[C@H](O)c1cccs1.CN(C)CC[C@H](Oc1ccc2ccccc2c1)c1cccs1.CNCC[C@H](Oc1ccc2ccccc2c1)c1cccs1.
What is the InChIKey of (1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine?
The InChIKey is UOLQSICNKWABOO-VVPHZVEESA-N. The full InChI is InChI=1S/C19H21NOS.C18H19NOS.2C9H15NOS/c1-20(2)12-11-18(19-8-5-13-22-19)21-17-10-9-15-6-3-4-7-16(15)14-17;1-19-11-10-17(18-7-4-12-21-18)20-16-9-8-14-5-2-3-6-15(14)13-16;2*1-10(2)6-5-8(11)9-4-3-7-12-9/h3-10,13-14,18H,11-12H2,1-2H3;2-9,12-13,17,19H,10-11H2,1H3;2*3-4,7-8,11H,5-6H2,1-2H3/t18-;17-;8-;/m000./s1.
What are the key properties of (1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine?
(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine has a molecular weight of 979.46 g/mol, XLogP of 13.07, 20 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 161149333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).