(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

C55H68N4O4S4 — CID 158318321

IUPAC(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
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.C9H15NOS.C9H13NOS/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;3-4,7-8,11H,5-6H2,1-2H3;3-4,7H,5-6H2,1-2H3/t18-;17-;8-;/m000./s1
InChIKeyGONPVXUIEUAGFJ-VVPHZVEESA-N
MW977.44 g/mol
LogP13.22
Rot. Bonds20

About (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

(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 (PubChem CID 158318321) has the molecular formula C55H68N4O4S4 and a molecular weight of 977.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158318321
Molecular FormulaC55H68N4O4S4
Molecular Weight977.44 g/mol
Exact Mass976.41
IUPAC Name(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
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.C9H15NOS.C9H13NOS/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;3-4,7-8,11H,5-6H2,1-2H3;3-4,7H,5-6H2,1-2H3/t18-;17-;8-;/m000./s1
InChIKeyGONPVXUIEUAGFJ-VVPHZVEESA-N
XLogP13.22
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500977.44
LogP ≤ 513.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze (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 with MolForge

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

Launch Full Analysis

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-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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 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-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?
The InChIKey is GONPVXUIEUAGFJ-VVPHZVEESA-N. The full InChI is InChI=1S/C19H21NOS.C18H19NOS.C9H15NOS.C9H13NOS/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;3-4,7-8,11H,5-6H2,1-2H3;3-4,7H,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-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?
(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 has a molecular weight of 977.44 g/mol, XLogP of 13.22, 20 rotatable bonds, 2 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-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 is sourced from PubChem (CID 158318321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).