N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride

C12H25ClN2O3S — CID 119612520

IUPACN-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride
SMILESCS(=O)(=O)CCCC(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-18(16,17)8-4-7-12(15)14-11-6-3-2-5-10(11)9-13;/h10-11H,2-9,13H2,1H3,(H,14,15);1H
InChIKeyDKLFAWYUSDJAAT-UHFFFAOYSA-N
MW312.86 g/mol
LogP0.87
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride (PubChem CID 119612520) has the molecular formula C12H25ClN2O3S and a molecular weight of 312.86 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride
PubChem CID119612520
Molecular FormulaC12H25ClN2O3S
Molecular Weight312.86 g/mol
Exact Mass312.13
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride
SMILESCS(=O)(=O)CCCC(=O)NC1CCCCC1CN.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-18(16,17)8-4-7-12(15)14-11-6-3-2-5-10(11)9-13;/h10-11H,2-9,13H2,1H3,(H,14,15);1H
InChIKeyDKLFAWYUSDJAAT-UHFFFAOYSA-N
XLogP0.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
CID 119612593
N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
N-[2-(aminomethyl)cyclohexyl]-5-methylsulfanylpentanamide
CID 119609946
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide
CID 119612594
N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide
CID 119604432
N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride
CID 119601417
N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
CID 119611051
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302
N-[2-(hydroxymethyl)cyclopentyl]-3-methylsulfonylpropanamide
CID 103822602
N-[2-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
CID 119602223
N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide
CID 119612503

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride (CID 119612520) is N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride is CS(=O)(=O)CCCC(=O)NC1CCCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride?
The InChIKey is DKLFAWYUSDJAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S.ClH/c1-18(16,17)8-4-7-12(15)14-11-6-3-2-5-10(11)9-13;/h10-11H,2-9,13H2,1H3,(H,14,15);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride has a molecular weight of 312.86 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride is sourced from PubChem (CID 119612520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).