N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride

C13H27ClN2O3S — CID 120584818

IUPACN-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)CC1CCCCO1)C1CCCC1
InChIInChI=1S/C13H26N2O3S.ClH/c14-9-13(11-5-1-2-6-11)15-19(16,17)10-12-7-3-4-8-18-12;/h11-13,15H,1-10,14H2;1H
InChIKeyCPGQNTIKOINLMY-UHFFFAOYSA-N
MW326.89 g/mol
LogP1.41
Rot. Bonds6

About N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride

N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride (PubChem CID 120584818) has the molecular formula C13H27ClN2O3S and a molecular weight of 326.89 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride
PubChem CID120584818
Molecular FormulaC13H27ClN2O3S
Molecular Weight326.89 g/mol
Exact Mass326.14
IUPAC NameN-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)CC1CCCCO1)C1CCCC1
InChIInChI=1S/C13H26N2O3S.ClH/c14-9-13(11-5-1-2-6-11)15-19(16,17)10-12-7-3-4-8-18-12;/h11-13,15H,1-10,14H2;1H
InChIKeyCPGQNTIKOINLMY-UHFFFAOYSA-N
XLogP1.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
N-(2-amino-1-cyclopentylethyl)prop-2-ene-1-sulfonamide
CID 106737824
N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide
CID 106737773
2-(oxan-2-ylmethylsulfonyl)propan-1-amine
CID 81187851
N-(2-amino-1-cyclohexylethyl)methanesulfonamide
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N-(2-amino-1-cyclohexylethyl)cyclopropanesulfonamide
CID 64553648
N-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride
CID 120585319

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride (CID 120584818) is N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)CC1CCCCO1)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride?
The InChIKey is CPGQNTIKOINLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S.ClH/c14-9-13(11-5-1-2-6-11)15-19(16,17)10-12-7-3-4-8-18-12;/h11-13,15H,1-10,14H2;1H.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride?
N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride has a molecular weight of 326.89 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 120584818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).