N-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide

C15H29F2N3O2S — CID 154861370

IUPACN-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCCC1CNC1CCN(CC(F)F)CC1
InChIInChI=1S/C15H29F2N3O2S/c1-23(21,22)19-14-5-3-2-4-12(14)10-18-13-6-8-20(9-7-13)11-15(16)17/h12-15,18-19H,2-11H2,1H3
InChIKeyHTXGTQSURIHZRH-UHFFFAOYSA-N
MW353.48 g/mol
LogP1.41
Rot. Bonds7

About N-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide

N-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide (PubChem CID 154861370) has the molecular formula C15H29F2N3O2S and a molecular weight of 353.48 g/mol. Its IUPAC name is N-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide
PubChem CID154861370
Molecular FormulaC15H29F2N3O2S
Molecular Weight353.48 g/mol
Exact Mass353.19
IUPAC NameN-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCCC1CNC1CCN(CC(F)F)CC1
InChIInChI=1S/C15H29F2N3O2S/c1-23(21,22)19-14-5-3-2-4-12(14)10-18-13-6-8-20(9-7-13)11-15(16)17/h12-15,18-19H,2-11H2,1H3
InChIKeyHTXGTQSURIHZRH-UHFFFAOYSA-N
XLogP1.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide
CID 86787572
1-(2,2-difluoroethyl)-N-propylpiperidin-4-amine;molecular hydrogen
CID 178010321
N-[(1R,2S)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide
CID 129347463
N-[(1R,2R)-2-[[[(8R)-5-oxaspiro[3.5]nonan-8-yl]amino]methyl]cyclohexyl]methanesulfonamide
CID 129347462
N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide
CID 11043842
(2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(methanesulfonamido)-3,3-dimethylbutanamide
CID 99815800
N-[(1R,2S)-2-fluorocyclopentyl]methanesulfonamide
CID 130766267
N-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide
CID 120973247
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
N'-[[2-(methanesulfonamido)cyclohexyl]methyl]azepane-1-carboximidamide
CID 120973217
1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 136539812
1-(2-fluoropropyl)-N-propan-2-ylpiperidin-4-amine
CID 167648403

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide (CID 154861370) is N-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCCCC1CNC1CCN(CC(F)F)CC1.
What is the InChIKey of N-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide?
The InChIKey is HTXGTQSURIHZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2N3O2S/c1-23(21,22)19-14-5-3-2-4-12(14)10-18-13-6-8-20(9-7-13)11-15(16)17/h12-15,18-19H,2-11H2,1H3.
What are the key properties of N-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide?
N-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide has a molecular weight of 353.48 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 154861370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).