2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide

C14H29N3O3S — CID 104678245

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)CC1(CN)CCCCC1)NS(C)(=O)=O
InChIInChI=1S/C14H29N3O3S/c1-13(2,17-21(3,19)20)11-16-12(18)9-14(10-15)7-5-4-6-8-14/h17H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyHMQXWTYYHQCDSS-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.73
Rot. Bonds7

About 2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide

2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide (PubChem CID 104678245) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
PubChem CID104678245
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)CC1(CN)CCCCC1)NS(C)(=O)=O
InChIInChI=1S/C14H29N3O3S/c1-13(2,17-21(3,19)20)11-16-12(18)9-14(10-15)7-5-4-6-8-14/h17H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyHMQXWTYYHQCDSS-UHFFFAOYSA-N
XLogP0.73
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[2-(methanesulfonamido)-2-methylpropyl]cyclohexane-1-carboxamide
CID 63863931
1-[2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63861747
2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 106147918
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methanesulfonamido)propyl]acetamide
CID 104844350
ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate
CID 83316807
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
2-(1-aminocyclopentyl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide
CID 79551122
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide
CID 103307783

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide (CID 104678245) is 2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide is CC(C)(CNC(=O)CC1(CN)CCCCC1)NS(C)(=O)=O.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide?
The InChIKey is HMQXWTYYHQCDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-13(2,17-21(3,19)20)11-16-12(18)9-14(10-15)7-5-4-6-8-14/h17H,4-11,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide has a molecular weight of 319.47 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide is sourced from PubChem (CID 104678245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).