N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide

C15H30N2O3S — CID 119995772

IUPACN-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide
SMILESCC(CN)CNC(=O)C(C(C)C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H30N2O3S/c1-11(2)14(15(18)17-10-12(3)9-16)21(19,20)13-7-5-4-6-8-13/h11-14H,4-10,16H2,1-3H3,(H,17,18)
InChIKeyMAUUOCQMLWPUOC-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.47
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide

N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide (PubChem CID 119995772) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide
PubChem CID119995772
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide
SMILESCC(CN)CNC(=O)C(C(C)C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H30N2O3S/c1-11(2)14(15(18)17-10-12(3)9-16)21(19,20)13-7-5-4-6-8-13/h11-14H,4-10,16H2,1-3H3,(H,17,18)
InChIKeyMAUUOCQMLWPUOC-UHFFFAOYSA-N
XLogP1.47
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-3-cyclohexyl-2-methylpropanamide
CID 119996085
3-[(2-cyclohexylsulfonyl-3-methylbutanoyl)amino]butanoic acid
CID 119220672
(2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid
CID 51889995
(2S)-2-cyclohexylsulfonyl-3-methylbutanoic acid
CID 51889993
2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide
CID 119556569
N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 119996125
2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120599357
3-cyclohexylsulfonylbutan-1-amine
CID 64698665
N-(3-amino-2-methylpropyl)-2-(cyclopentylmethyl)pentanamide;hydrochloride
CID 119995428
N-(3-amino-2-methylpropyl)-2-methylbutanamide
CID 62666098
N-(3-amino-2-methylpropyl)-2-cyclopropylacetamide
CID 62667808
2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide
CID 120574654

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide (CID 119995772) is N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide is CC(CN)CNC(=O)C(C(C)C)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide?
The InChIKey is MAUUOCQMLWPUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-11(2)14(15(18)17-10-12(3)9-16)21(19,20)13-7-5-4-6-8-13/h11-14H,4-10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide?
N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide has a molecular weight of 318.48 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide is sourced from PubChem (CID 119995772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).