1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide

C13H27N3O3S — CID 63863931

IUPAC1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(CN)CCCCC1)NS(C)(=O)=O
InChIInChI=1S/C13H27N3O3S/c1-12(2,16-20(3,18)19)10-15-11(17)13(9-14)7-5-4-6-8-13/h16H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyYZKMJXUKILQWHA-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.34
Rot. Bonds6

About 1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide (PubChem CID 63863931) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide
PubChem CID63863931
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(CN)CCCCC1)NS(C)(=O)=O
InChIInChI=1S/C13H27N3O3S/c1-12(2,16-20(3,18)19)10-15-11(17)13(9-14)7-5-4-6-8-13/h16H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyYZKMJXUKILQWHA-UHFFFAOYSA-N
XLogP0.34
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
CID 104678245
1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63861747
1-(aminomethyl)-N-(2,2,3,3-tetramethylbutyl)cyclobutane-1-carboxamide
CID 115183598
1-(aminomethyl)-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide
CID 115437980
1-(aminomethyl)-N-(2-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 104759874
1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide
CID 106292120
1-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)cyclopentane-1-carboxamide
CID 115434759
1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
CID 115435181
1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1-carboxamide
CID 106291021
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
CID 115437637
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide
CID 115365659

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide (CID 63863931) is 1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide is CC(C)(CNC(=O)C1(CN)CCCCC1)NS(C)(=O)=O.
What is the InChIKey of 1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide?
The InChIKey is YZKMJXUKILQWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-12(2,16-20(3,18)19)10-15-11(17)13(9-14)7-5-4-6-8-13/h16H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of 1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide has a molecular weight of 305.44 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63863931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).