2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C14H14ClNO2S2 — CID 81252491

IUPAC2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCS(=O)(=O)c1cccc(NC2CCc3sc(Cl)cc32)c1
InChIInChI=1S/C14H14ClNO2S2/c1-20(17,18)10-4-2-3-9(7-10)16-12-5-6-13-11(12)8-14(15)19-13/h2-4,7-8,12,16H,5-6H2,1H3
InChIKeyKGCOZXJTRNRWIV-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.90
Rot. Bonds3

About 2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252491) has the molecular formula C14H14ClNO2S2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252491
Molecular FormulaC14H14ClNO2S2
Molecular Weight327.86 g/mol
Exact Mass327.02
IUPAC Name2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCS(=O)(=O)c1cccc(NC2CCc3sc(Cl)cc32)c1
InChIInChI=1S/C14H14ClNO2S2/c1-20(17,18)10-4-2-3-9(7-10)16-12-5-6-13-11(12)8-14(15)19-13/h2-4,7-8,12,16H,5-6H2,1H3
InChIKeyKGCOZXJTRNRWIV-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252155
N-(3-bromo-2-methylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 107629950
2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81247137
N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252769
2-chloro-N-(3-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252267
2-chloro-N-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686856
2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81235453
2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252677
2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251828
3-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzonitrile
CID 82687712
2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide
CID 81251727
2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 114837645

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252491) is 2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is CS(=O)(=O)c1cccc(NC2CCc3sc(Cl)cc32)c1.
What is the InChIKey of 2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is KGCOZXJTRNRWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S2/c1-20(17,18)10-4-2-3-9(7-10)16-12-5-6-13-11(12)8-14(15)19-13/h2-4,7-8,12,16H,5-6H2,1H3.
What are the key properties of 2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 327.86 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).