2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine

C13H14ClNS2 — CID 62583170

IUPAC2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESClc1ccccc1SCCNCc1cccs1
InChIInChI=1S/C13H14ClNS2/c14-12-5-1-2-6-13(12)17-9-7-15-10-11-4-3-8-16-11/h1-6,8,15H,7,9-10H2
InChIKeyKOLBDOPDVXEGRO-UHFFFAOYSA-N
MW283.85 g/mol
LogP4.28
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine

2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 62583170) has the molecular formula C13H14ClNS2 and a molecular weight of 283.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID62583170
Molecular FormulaC13H14ClNS2
Molecular Weight283.85 g/mol
Exact Mass283.03
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESClc1ccccc1SCCNCc1cccs1
InChIInChI=1S/C13H14ClNS2/c14-12-5-1-2-6-13(12)17-9-7-15-10-11-4-3-8-16-11/h1-6,8,15H,7,9-10H2
InChIKeyKOLBDOPDVXEGRO-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 60664664
2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 112736355
2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62579080
2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine
CID 62582805
N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 15887858
N-[2-(2-chlorophenyl)sulfanylethyl]-4-methylpentan-1-amine
CID 63516114
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 55092488
N'-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54807938
3-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride
CID 17123333
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
N-[2-(2-chlorophenyl)sulfanylethyl]pentan-3-amine
CID 62582624
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine (CID 62583170) is 2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine is Clc1ccccc1SCCNCc1cccs1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is KOLBDOPDVXEGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS2/c14-12-5-1-2-6-13(12)17-9-7-15-10-11-4-3-8-16-11/h1-6,8,15H,7,9-10H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 283.85 g/mol, XLogP of 4.28, 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-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 62583170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).