2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide

C18H34N2O3S — CID 119556569

IUPAC2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide
SMILESCC(C)C(C(=O)NCCC1CCCNC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C18H34N2O3S/c1-14(2)17(24(22,23)16-8-4-3-5-9-16)18(21)20-12-10-15-7-6-11-19-13-15/h14-17,19H,3-13H2,1-2H3,(H,20,21)
InChIKeyHKYOYWZLXJINLH-UHFFFAOYSA-N
MW358.55 g/mol
LogP2.26
Rot. Bonds7

About 2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide

2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide (PubChem CID 119556569) has the molecular formula C18H34N2O3S and a molecular weight of 358.55 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide
PubChem CID119556569
Molecular FormulaC18H34N2O3S
Molecular Weight358.55 g/mol
Exact Mass358.23
IUPAC Name2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide
SMILESCC(C)C(C(=O)NCCC1CCCNC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C18H34N2O3S/c1-14(2)17(24(22,23)16-8-4-3-5-9-16)18(21)20-12-10-15-7-6-11-19-13-15/h14-17,19H,3-13H2,1-2H3,(H,20,21)
InChIKeyHKYOYWZLXJINLH-UHFFFAOYSA-N
XLogP2.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
2-acetamido-2-cyclopentyl-N-(2-piperidin-3-ylethyl)acetamide
CID 119555580
2-(cyclopentylmethyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555362
2-cyclohexyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260693
2-cycloheptyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557821
2-[(4-chlorophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide
CID 119557382
3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide
CID 122080536
2-(methanesulfonamido)-2-methyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119558362
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide
CID 60894096
2-cyclopropyl-N-(2-piperidin-3-ylethyl)acetamide
CID 63628201
2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534841
5,5-dimethyl-N-(2-piperidin-3-ylethyl)hexanamide;hydrochloride
CID 119559479

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide?
The IUPAC name of 2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide (CID 119556569) is 2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide.
What is the SMILES notation for 2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide?
The canonical SMILES for 2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide is CC(C)C(C(=O)NCCC1CCCNC1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide?
The InChIKey is HKYOYWZLXJINLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3S/c1-14(2)17(24(22,23)16-8-4-3-5-9-16)18(21)20-12-10-15-7-6-11-19-13-15/h14-17,19H,3-13H2,1-2H3,(H,20,21).
What are the key properties of 2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide?
2-cyclohexylsulfonyl-3-methyl-N-(2-piperidin-3-ylethyl)butanamide has a molecular weight of 358.55 g/mol, XLogP of 2.26, 7 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-piperidin-3-ylethyl)butanamide is sourced from PubChem (CID 119556569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).