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

C15H18ClNS2 — CID 102832965

IUPAC2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCCNC(CSc1ccccc1Cl)c1ccsc1C
InChIInChI=1S/C15H18ClNS2/c1-3-17-14(12-8-9-18-11(12)2)10-19-15-7-5-4-6-13(15)16/h4-9,14,17H,3,10H2,1-2H3
InChIKeyFKOJQHJTFDZPAL-UHFFFAOYSA-N
MW311.90 g/mol
LogP5.15
Rot. Bonds6

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

2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine (PubChem CID 102832965) has the molecular formula C15H18ClNS2 and a molecular weight of 311.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
PubChem CID102832965
Molecular FormulaC15H18ClNS2
Molecular Weight311.90 g/mol
Exact Mass311.06
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCCNC(CSc1ccccc1Cl)c1ccsc1C
InChIInChI=1S/C15H18ClNS2/c1-3-17-14(12-8-9-18-11(12)2)10-19-15-7-5-4-6-13(15)16/h4-9,14,17H,3,10H2,1-2H3
InChIKeyFKOJQHJTFDZPAL-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.90
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine
CID 107560401
3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
CID 66140580
2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64619490
N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine
CID 102833204
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121
N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102840839
N-[2-(2-chlorophenyl)sulfanyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 66140977
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832366
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832977
1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66140367
N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102841988
N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine
CID 102840306

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine (CID 102832965) is 2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine is CCNC(CSc1ccccc1Cl)c1ccsc1C.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine?
The InChIKey is FKOJQHJTFDZPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS2/c1-3-17-14(12-8-9-18-11(12)2)10-19-15-7-5-4-6-13(15)16/h4-9,14,17H,3,10H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine?
2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine has a molecular weight of 311.90 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 102832965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).