2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine

C14H16ClNS2 — CID 102832977

IUPAC2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCNC(CSc1ccc(Cl)cc1)c1ccsc1C
InChIInChI=1S/C14H16ClNS2/c1-10-13(7-8-17-10)14(16-2)9-18-12-5-3-11(15)4-6-12/h3-8,14,16H,9H2,1-2H3
InChIKeyPKOFHHHLLRFSAM-UHFFFAOYSA-N
MW297.88 g/mol
LogP4.76
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine

2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine (PubChem CID 102832977) has the molecular formula C14H16ClNS2 and a molecular weight of 297.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
PubChem CID102832977
Molecular FormulaC14H16ClNS2
Molecular Weight297.88 g/mol
Exact Mass297.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCNC(CSc1ccc(Cl)cc1)c1ccsc1C
InChIInChI=1S/C14H16ClNS2/c1-10-13(7-8-17-10)14(16-2)9-18-12-5-3-11(15)4-6-12/h3-8,14,16H,9H2,1-2H3
InChIKeyPKOFHHHLLRFSAM-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.88
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 66145138
N-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102831979
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881691
2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832965
1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066784
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 66144356
1-(4-chlorophenyl)sulfanyl-N-methyl-4-methylsulfonylbutan-2-amine
CID 66143966
1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066186
N-[2-(4-chlorophenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethyl]propan-1-amine
CID 66143413
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(4-chlorophenyl)sulfanyl-N-methylethanamine
CID 114656283
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 102831896
N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine
CID 102840644

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine (CID 102832977) is 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine is CNC(CSc1ccc(Cl)cc1)c1ccsc1C.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine?
The InChIKey is PKOFHHHLLRFSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS2/c1-10-13(7-8-17-10)14(16-2)9-18-12-5-3-11(15)4-6-12/h3-8,14,16H,9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine?
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine has a molecular weight of 297.88 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 102832977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).