N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride

C11H24ClN3O3S — CID 119611051

IUPACN-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
SMILESCN(CC(=O)NC1CCCCC1CN)S(C)(=O)=O.Cl
InChIInChI=1S/C11H23N3O3S.ClH/c1-14(18(2,16)17)8-11(15)13-10-6-4-3-5-9(10)7-12;/h9-10H,3-8,12H2,1-2H3,(H,13,15);1H
InChIKeyJNYZSIGJVMXTSI-UHFFFAOYSA-N
MW313.85 g/mol
LogP-0.07
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride (PubChem CID 119611051) has the molecular formula C11H24ClN3O3S and a molecular weight of 313.85 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
PubChem CID119611051
Molecular FormulaC11H24ClN3O3S
Molecular Weight313.85 g/mol
Exact Mass313.12
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
SMILESCN(CC(=O)NC1CCCCC1CN)S(C)(=O)=O.Cl
InChIInChI=1S/C11H23N3O3S.ClH/c1-14(18(2,16)17)8-11(15)13-10-6-4-3-5-9(10)7-12;/h9-10H,3-8,12H2,1-2H3,(H,13,15);1H
InChIKeyJNYZSIGJVMXTSI-UHFFFAOYSA-N
XLogP-0.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 119602359
N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119610103
N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119612520
2-[methyl(methylsulfonyl)amino]-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575937
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride
CID 119601349
N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
CID 119590776
2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
CID 119610509
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302
N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide
CID 119604432

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride (CID 119611051) is N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride is CN(CC(=O)NC1CCCCC1CN)S(C)(=O)=O.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride?
The InChIKey is JNYZSIGJVMXTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S.ClH/c1-14(18(2,16)17)8-11(15)13-10-6-4-3-5-9(10)7-12;/h9-10H,3-8,12H2,1-2H3,(H,13,15);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride has a molecular weight of 313.85 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119611051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).