2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide

C13H26N2O3S — CID 55012024

IUPAC2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide
SMILESCC1CCCCC1CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-10-5-3-4-6-11(10)9-15-13(16)12(14)7-8-19(2,17)18/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyMEYZWKPCPRQWJU-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.69
Rot. Bonds6

About 2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide

2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide (PubChem CID 55012024) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide
PubChem CID55012024
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide
SMILESCC1CCCCC1CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-10-5-3-4-6-11(10)9-15-13(16)12(14)7-8-19(2,17)18/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyMEYZWKPCPRQWJU-UHFFFAOYSA-N
XLogP0.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methoxy-N-[(2-methylcyclopentyl)methyl]butanamide
CID 107418374
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
2-amino-N-cyclooctyl-4-methylsulfonylbutanamide
CID 24708067
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide
CID 65106258
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide
CID 24707630
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide
CID 62359811
2-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]pentanamide;hydrochloride
CID 119345236
(2-methylcyclopentyl)methylurea
CID 107417745
4-amino-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107418378
2-amino-N-(1,4-dioxan-2-ylmethyl)-4-methylsulfonylbutanamide
CID 54907981
2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 43516867

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide (CID 55012024) is 2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide is CC1CCCCC1CNC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide?
The InChIKey is MEYZWKPCPRQWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-10-5-3-4-6-11(10)9-15-13(16)12(14)7-8-19(2,17)18/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide?
2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide has a molecular weight of 290.43 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methylcyclohexyl)methyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 55012024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).