N-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride

C7H17ClN2O2S — CID 71755945

IUPACN-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-12(10,11)9-7-4-2-3-6(7)5-8;/h6-7,9H,2-5,8H2,1H3;1H
InChIKeyJMEJTUZKOXONFA-UHFFFAOYSA-N
MW228.74 g/mol
LogP0.08
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride (PubChem CID 71755945) has the molecular formula C7H17ClN2O2S and a molecular weight of 228.74 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride
PubChem CID71755945
Molecular FormulaC7H17ClN2O2S
Molecular Weight228.74 g/mol
Exact Mass228.07
IUPAC NameN-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-12(10,11)9-7-4-2-3-6(7)5-8;/h6-7,9H,2-5,8H2,1H3;1H
InChIKeyJMEJTUZKOXONFA-UHFFFAOYSA-N
XLogP0.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride (CID 71755945) is N-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride is CS(=O)(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride?
The InChIKey is JMEJTUZKOXONFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.ClH/c1-12(10,11)9-7-4-2-3-6(7)5-8;/h6-7,9H,2-5,8H2,1H3;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride has a molecular weight of 228.74 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 71755945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).