1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine

C15H19NS2 — CID 115639875

IUPAC1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
SMILESCSCC(C)NCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C15H19NS2/c1-12(10-17-2)16-9-15-8-14(11-18-15)13-6-4-3-5-7-13/h3-8,11-12,16H,9-10H2,1-2H3
InChIKeyNKVYWYGYZQGMRQ-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.26
Rot. Bonds6

About 1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine

1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine (PubChem CID 115639875) has the molecular formula C15H19NS2 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
PubChem CID115639875
Molecular FormulaC15H19NS2
Molecular Weight277.46 g/mol
Exact Mass277.10
IUPAC Name1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
SMILESCSCC(C)NCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C15H19NS2/c1-12(10-17-2)16-9-15-8-14(11-18-15)13-6-4-3-5-7-13/h3-8,11-12,16H,9-10H2,1-2H3
InChIKeyNKVYWYGYZQGMRQ-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(4-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191416
3,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]butan-2-amine
CID 104827818
2-[(4-phenylthiophen-2-yl)methylamino]propanoic acid
CID 54960058
1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 61017877
methyl 2-[(4-phenylthiophen-2-yl)methylamino]propanoate
CID 61018262
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 61019203
N-[(4-phenylthiophen-2-yl)methyl]hex-1-yn-3-amine
CID 106227304
4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol
CID 106349255
N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010902
N-[(4-phenylthiophen-2-yl)methyl]thiophen-3-amine
CID 66353192
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866204
4-methyl-N-[(4-phenylthiophen-2-yl)methyl]oxan-4-amine
CID 115757939

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine (CID 115639875) is 1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine is CSCC(C)NCc1cc(-c2ccccc2)cs1.
What is the InChIKey of 1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine?
The InChIKey is NKVYWYGYZQGMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS2/c1-12(10-17-2)16-9-15-8-14(11-18-15)13-6-4-3-5-7-13/h3-8,11-12,16H,9-10H2,1-2H3.
What are the key properties of 1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine?
1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 115639875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).