N-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide

C18H30F2N2O3S — CID 128576960

IUPACN-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide
SMILESO=C1C(NS(=O)(=O)CC2CCCCC2(F)F)CCCN1C1CCCCC1
InChIInChI=1S/C18H30F2N2O3S/c19-18(20)11-5-4-7-14(18)13-26(24,25)21-16-10-6-12-22(17(16)23)15-8-2-1-3-9-15/h14-16,21H,1-13H2
InChIKeyGPRHTCMSIOEEJM-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.06
Rot. Bonds5

About N-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide

N-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide (PubChem CID 128576960) has the molecular formula C18H30F2N2O3S and a molecular weight of 392.51 g/mol. Its IUPAC name is N-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide
PubChem CID128576960
Molecular FormulaC18H30F2N2O3S
Molecular Weight392.51 g/mol
Exact Mass392.19
IUPAC NameN-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide
SMILESO=C1C(NS(=O)(=O)CC2CCCCC2(F)F)CCCN1C1CCCCC1
InChIInChI=1S/C18H30F2N2O3S/c19-18(20)11-5-4-7-14(18)13-26(24,25)21-16-10-6-12-22(17(16)23)15-8-2-1-3-9-15/h14-16,21H,1-13H2
InChIKeyGPRHTCMSIOEEJM-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2-difluorocyclohexyl)methylsulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071630
1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide
CID 128579733
1-cycloheptyl-3-hydroxypiperidin-2-one
CID 117014090
2-[1-[(2,2-difluorocyclohexyl)methylsulfonyl]azepan-4-yl]ethanol
CID 136548377
1-[(2,2-difluorocyclohexyl)methylsulfonyl]-3-methylsulfonylazetidine
CID 136546461
1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
CID 166232757
6-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 117273495
N-[(3S)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124738321
6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide
CID 167897380
1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one
CID 22984790
3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one
CID 64747595
(10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
CID 86313694

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide?
The IUPAC name of N-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide (CID 128576960) is N-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide.
What is the SMILES notation for N-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide?
The canonical SMILES for N-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide is O=C1C(NS(=O)(=O)CC2CCCCC2(F)F)CCCN1C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide?
The InChIKey is GPRHTCMSIOEEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F2N2O3S/c19-18(20)11-5-4-7-14(18)13-26(24,25)21-16-10-6-12-22(17(16)23)15-8-2-1-3-9-15/h14-16,21H,1-13H2.
What are the key properties of N-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide?
N-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide has a molecular weight of 392.51 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide is sourced from PubChem (CID 128576960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).