N-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride

C13H29ClN2O2S — CID 120585319

IUPACN-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride
SMILESCCCC(C)CS(=O)(=O)NC(CN)C1CCCC1.Cl
InChIInChI=1S/C13H28N2O2S.ClH/c1-3-6-11(2)10-18(16,17)15-13(9-14)12-7-4-5-8-12;/h11-13,15H,3-10,14H2,1-2H3;1H
InChIKeyHTJHFSBLOPCVQL-UHFFFAOYSA-N
MW312.91 g/mol
LogP2.28
Rot. Bonds8

About N-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride

N-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride (PubChem CID 120585319) has the molecular formula C13H29ClN2O2S and a molecular weight of 312.91 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride
PubChem CID120585319
Molecular FormulaC13H29ClN2O2S
Molecular Weight312.91 g/mol
Exact Mass312.16
IUPAC NameN-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride
SMILESCCCC(C)CS(=O)(=O)NC(CN)C1CCCC1.Cl
InChIInChI=1S/C13H28N2O2S.ClH/c1-3-6-11(2)10-18(16,17)15-13(9-14)12-7-4-5-8-12;/h11-13,15H,3-10,14H2,1-2H3;1H
InChIKeyHTJHFSBLOPCVQL-UHFFFAOYSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.91
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride (CID 120585319) is N-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride is CCCC(C)CS(=O)(=O)NC(CN)C1CCCC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride?
The InChIKey is HTJHFSBLOPCVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S.ClH/c1-3-6-11(2)10-18(16,17)15-13(9-14)12-7-4-5-8-12;/h11-13,15H,3-10,14H2,1-2H3;1H.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride?
N-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride has a molecular weight of 312.91 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120585319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).