N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide

C14H17ClN2O2S2 — CID 119985706

IUPACN-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide
SMILESNCC1CCCC1NS(=O)(=O)c1csc2ccc(Cl)cc12
InChIInChI=1S/C14H17ClN2O2S2/c15-10-4-5-13-11(6-10)14(8-20-13)21(18,19)17-12-3-1-2-9(12)7-16/h4-6,8-9,12,17H,1-3,7,16H2
InChIKeyYMQIIAOPIAXGKE-UHFFFAOYSA-N
MW344.89 g/mol
LogP2.96
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide

N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide (PubChem CID 119985706) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide
PubChem CID119985706
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide
SMILESNCC1CCCC1NS(=O)(=O)c1csc2ccc(Cl)cc12
InChIInChI=1S/C14H17ClN2O2S2/c15-10-4-5-13-11(6-10)14(8-20-13)21(18,19)17-12-3-1-2-9(12)7-16/h4-6,8-9,12,17H,1-3,7,16H2
InChIKeyYMQIIAOPIAXGKE-UHFFFAOYSA-N
XLogP2.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide (CID 119985706) is N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide is NCC1CCCC1NS(=O)(=O)c1csc2ccc(Cl)cc12.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide?
The InChIKey is YMQIIAOPIAXGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c15-10-4-5-13-11(6-10)14(8-20-13)21(18,19)17-12-3-1-2-9(12)7-16/h4-6,8-9,12,17H,1-3,7,16H2.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide?
N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide has a molecular weight of 344.89 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 119985706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).