N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine

C16H21NS2 — CID 64612750

IUPACN,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine
SMILESCNC(c1ccccc1)C(Sc1cccs1)C(C)C
InChIInChI=1S/C16H21NS2/c1-12(2)16(19-14-10-7-11-18-14)15(17-3)13-8-5-4-6-9-13/h4-12,15-17H,1-3H3
InChIKeyDBVROMZRMUFDRS-UHFFFAOYSA-N
MW291.49 g/mol
LogP4.83
Rot. Bonds6

About N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine

N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine (PubChem CID 64612750) has the molecular formula C16H21NS2 and a molecular weight of 291.49 g/mol. Its IUPAC name is N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine
PubChem CID64612750
Molecular FormulaC16H21NS2
Molecular Weight291.49 g/mol
Exact Mass291.11
IUPAC NameN,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine
SMILESCNC(c1ccccc1)C(Sc1cccs1)C(C)C
InChIInChI=1S/C16H21NS2/c1-12(2)16(19-14-10-7-11-18-14)15(17-3)13-8-5-4-6-9-13/h4-12,15-17H,1-3H3
InChIKeyDBVROMZRMUFDRS-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine
CID 64614845
N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine
CID 107763433
N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylbutan-1-amine
CID 64628599
2-(3-chlorophenyl)sulfanyl-N,3-dimethyl-1-phenylbutan-1-amine
CID 64633706
N,3-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-amine
CID 64619465
2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398198
N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
CID 106927798
N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine
CID 62578598
N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine
CID 70397425
N-(2-thiophen-2-ylsulfanylpropyl)aniline
CID 62578377
(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
CID 11969836
2-[(2S)-butan-2-yl]sulfanylthiophene
CID 89122667

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine?
The IUPAC name of N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine (CID 64612750) is N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine.
What is the SMILES notation for N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine?
The canonical SMILES for N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine is CNC(c1ccccc1)C(Sc1cccs1)C(C)C.
What is the InChIKey of N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine?
The InChIKey is DBVROMZRMUFDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS2/c1-12(2)16(19-14-10-7-11-18-14)15(17-3)13-8-5-4-6-9-13/h4-12,15-17H,1-3H3.
What are the key properties of N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine?
N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine has a molecular weight of 291.49 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine is sourced from PubChem (CID 64612750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).