N-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride

C13H27ClN2O3S — CID 119565990

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
SMILESCC(C)CS(=O)(=O)CCC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H26N2O3S.ClH/c1-11(2)9-19(17,18)8-5-12(16)15-13(10-14)6-3-4-7-13;/h11H,3-10,14H2,1-2H3,(H,15,16);1H
InChIKeyOERYSJIFZWWOED-UHFFFAOYSA-N
MW326.89 g/mol
LogP1.26
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride (PubChem CID 119565990) has the molecular formula C13H27ClN2O3S and a molecular weight of 326.89 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
PubChem CID119565990
Molecular FormulaC13H27ClN2O3S
Molecular Weight326.89 g/mol
Exact Mass326.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
SMILESCC(C)CS(=O)(=O)CCC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H26N2O3S.ClH/c1-11(2)9-19(17,18)8-5-12(16)15-13(10-14)6-3-4-7-13;/h11H,3-10,14H2,1-2H3,(H,15,16);1H
InChIKeyOERYSJIFZWWOED-UHFFFAOYSA-N
XLogP1.26
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-ethylsulfonylacetamide
CID 119566982
N-[1-(aminomethyl)cyclopentyl]-2-propan-2-yloxyacetamide
CID 112701354
N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide
CID 119568496
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119567939
N-[1-(aminomethyl)cyclopentyl]-5-methoxypentanamide;hydrochloride
CID 119567009
N-(2-amino-1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
CID 119614320
N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119565263
N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide
CID 119565662
2-methylpropyl N-[1-(aminomethyl)cyclopentyl]carbamate
CID 63766538
N-[1-(aminomethyl)cyclopentyl]-3-cyclopropylpropanamide
CID 119565149
N-[1-(aminomethyl)cyclopentyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 119566219
N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide
CID 119566665

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride (CID 119565990) is N-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride is CC(C)CS(=O)(=O)CCC(=O)NC1(CN)CCCC1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride?
The InChIKey is OERYSJIFZWWOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S.ClH/c1-11(2)9-19(17,18)8-5-12(16)15-13(10-14)6-3-4-7-13;/h11H,3-10,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride has a molecular weight of 326.89 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(2-methylpropylsulfonyl)propanamide;hydrochloride is sourced from PubChem (CID 119565990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).