(2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide

C10H18F2N2O3S — CID 129231501

IUPAC(2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide
SMILESC[C@@H](CC(=O)N1CCCC(F)(F)C1)CS(N)(=O)=O
InChIInChI=1S/C10H18F2N2O3S/c1-8(6-18(13,16)17)5-9(15)14-4-2-3-10(11,12)7-14/h8H,2-7H2,1H3,(H2,13,16,17)/t8-/m0/s1
InChIKeyYVFQCQXDGXKAKU-QMMMGPOBSA-N
MW284.33 g/mol
LogP0.56
Rot. Bonds4

About (2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide

(2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide (PubChem CID 129231501) has the molecular formula C10H18F2N2O3S and a molecular weight of 284.33 g/mol. Its IUPAC name is (2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide
PubChem CID129231501
Molecular FormulaC10H18F2N2O3S
Molecular Weight284.33 g/mol
Exact Mass284.10
IUPAC Name(2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide
SMILESC[C@@H](CC(=O)N1CCCC(F)(F)C1)CS(N)(=O)=O
InChIInChI=1S/C10H18F2N2O3S/c1-8(6-18(13,16)17)5-9(15)14-4-2-3-10(11,12)7-14/h8H,2-7H2,1H3,(H2,13,16,17)/t8-/m0/s1
InChIKeyYVFQCQXDGXKAKU-QMMMGPOBSA-N
XLogP0.56
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one
CID 719632
3-Methyl-1-[4-(propylsulfonyl)piperazin-1-yl]butan-1-one
CID 719646
1-(isopropylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 52417111
1-[4-(2-Ethylbutylsulfonyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 56789891
N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide
CID 61383887
2-(4-ethylpiperidin-1-yl)-N-methyl-2-oxoethanesulfonamide
CID 75377512
(4-Fluoro-1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 124055475
4,4,4-Trifluoro-1-[4-(pyrrolidine-1-sulfonyl)piperidin-1-yl]butan-1-one
CID 146121935
1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide
CID 58240373
1-(4-Ethylsulfonylpiperazin-1-yl)-3,3-difluorobutan-1-one
CID 68170403
1,1-difluoro-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide
CID 71182590
1-Tert-butylsulfonyl-4-(trifluoromethyl)piperidin-2-one
CID 126758759

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide?
The IUPAC name of (2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide (CID 129231501) is (2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide.
What is the SMILES notation for (2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide?
The canonical SMILES for (2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide is C[C@@H](CC(=O)N1CCCC(F)(F)C1)CS(N)(=O)=O.
What is the InChIKey of (2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide?
The InChIKey is YVFQCQXDGXKAKU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18F2N2O3S/c1-8(6-18(13,16)17)5-9(15)14-4-2-3-10(11,12)7-14/h8H,2-7H2,1H3,(H2,13,16,17)/t8-/m0/s1.
What are the key properties of (2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide?
(2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide has a molecular weight of 284.33 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3,3-difluoropiperidin-1-yl)-2-methyl-4-oxobutane-1-sulfonamide is sourced from PubChem (CID 129231501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).