2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride

C17H33ClN2O3S — CID 120599357

IUPAC2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCC1CC(NC(=O)C(C(C)C)S(=O)(=O)C2CCCCC2)CCN1.Cl
InChIInChI=1S/C17H32N2O3S.ClH/c1-12(2)16(23(21,22)15-7-5-4-6-8-15)17(20)19-14-9-10-18-13(3)11-14;/h12-16,18H,4-11H2,1-3H3,(H,19,20);1H
InChIKeyWZFPAPZTFUDLPQ-UHFFFAOYSA-N
MW380.98 g/mol
LogP2.44
Rot. Bonds5

About 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride

2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride (PubChem CID 120599357) has the molecular formula C17H33ClN2O3S and a molecular weight of 380.98 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
PubChem CID120599357
Molecular FormulaC17H33ClN2O3S
Molecular Weight380.98 g/mol
Exact Mass380.19
IUPAC Name2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCC1CC(NC(=O)C(C(C)C)S(=O)(=O)C2CCCCC2)CCN1.Cl
InChIInChI=1S/C17H32N2O3S.ClH/c1-12(2)16(23(21,22)15-7-5-4-6-8-15)17(20)19-14-9-10-18-13(3)11-14;/h12-16,18H,4-11H2,1-3H3,(H,19,20);1H
InChIKeyWZFPAPZTFUDLPQ-UHFFFAOYSA-N
XLogP2.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.98
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-3-yl)butanamide
CID 120574654
2-cycloheptyloxy-N-(2-methylpiperidin-4-yl)propanamide
CID 120601910
2-methoxy-N-(2-methylpiperidin-4-yl)propanamide
CID 106995606
2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601875
2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600315
1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea
CID 106995611
(2S)-2-cyclohexylsulfonyl-3-methylbutanoic acid
CID 51889993
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
(2R)-2-cyclohexylsulfonyl-3-methylbutanoic acid
CID 51889995
(2R)-2-amino-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 131207144
N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide
CID 119995772
3-[(2-cyclohexylsulfonyl-3-methylbutanoyl)amino]butanoic acid
CID 119220672

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
The IUPAC name of 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride (CID 120599357) is 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride.
What is the SMILES notation for 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
The canonical SMILES for 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride is CC1CC(NC(=O)C(C(C)C)S(=O)(=O)C2CCCCC2)CCN1.Cl.
What is the InChIKey of 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
The InChIKey is WZFPAPZTFUDLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3S.ClH/c1-12(2)16(23(21,22)15-7-5-4-6-8-15)17(20)19-14-9-10-18-13(3)11-14;/h12-16,18H,4-11H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride has a molecular weight of 380.98 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 120599357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).