N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

C13H23F2N3O3S — CID 146149266

IUPACN-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2N3O3S/c1-22(20,21)16-10-11-4-2-3-7-18(11)12(19)17-8-5-13(14,15)6-9-17/h11,16H,2-10H2,1H3
InChIKeyXNQRTGVFRBBIHE-UHFFFAOYSA-N
MW339.41 g/mol
LogP1.24
Rot. Bonds3

About N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 146149266) has the molecular formula C13H23F2N3O3S and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID146149266
Molecular FormulaC13H23F2N3O3S
Molecular Weight339.41 g/mol
Exact Mass339.14
IUPAC NameN-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2N3O3S/c1-22(20,21)16-10-11-4-2-3-7-18(11)12(19)17-8-5-13(14,15)6-9-17/h11,16H,2-10H2,1H3
InChIKeyXNQRTGVFRBBIHE-UHFFFAOYSA-N
XLogP1.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-ethyl-2-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 95160650
N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 79202830
N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 103028802
N-[[1-(3-aminobutanoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722459
N-[[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 78933697
N-[[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 115432105
N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 64824182
N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide
CID 132968697
tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate
CID 134993115
2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 61329043
N-[[1-(5-amino-2-methylpentanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 104684436
N-[[1-[(1S,3R,4R)-3-methoxybicyclo[2.1.0]pentane-1-carbonyl]piperidin-2-yl]methyl]methanesulfonamide
CID 166272481

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (CID 146149266) is N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCCN1C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is XNQRTGVFRBBIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N3O3S/c1-22(20,21)16-10-11-4-2-3-7-18(11)12(19)17-8-5-13(14,15)6-9-17/h11,16H,2-10H2,1H3.
What are the key properties of N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 339.41 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4,4-difluoropiperidine-1-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 146149266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).