1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide

C8H16F2N2O2S — CID 43523458

IUPAC1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide
SMILESCC(NS(=O)(=O)C(F)F)C1CCCNC1
InChIInChI=1S/C8H16F2N2O2S/c1-6(7-3-2-4-11-5-7)12-15(13,14)8(9)10/h6-8,11-12H,2-5H2,1H3
InChIKeyRLCPNVPFCBWWKB-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.52
Rot. Bonds4

About 1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide

1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide (PubChem CID 43523458) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is 1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide
PubChem CID43523458
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC Name1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide
SMILESCC(NS(=O)(=O)C(F)F)C1CCCNC1
InChIInChI=1S/C8H16F2N2O2S/c1-6(7-3-2-4-11-5-7)12-15(13,14)8(9)10/h6-8,11-12H,2-5H2,1H3
InChIKeyRLCPNVPFCBWWKB-UHFFFAOYSA-N
XLogP0.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-1-methanesulfonylpiperidin-4-amine hydrochloride
CID 91654571
(3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine
CID 98227926
N-(2,2-Difluoroethyl)-1-methanesulfonylpiperidin-4-amine
CID 60921764
4-[[(2S)-3-methylbutan-2-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 97820897
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide
CID 113902909
N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 58864919
1,1,1-trifluoro-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 61791527
1,1,1-trifluoro-N-[[(3S)-piperidin-3-yl]methyl]methanesulfonamide
CID 68237974
N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 121357711
N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 121357714
N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 121358961
N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 121358964

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide (CID 43523458) is 1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide is CC(NS(=O)(=O)C(F)F)C1CCCNC1.
What is the InChIKey of 1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide?
The InChIKey is RLCPNVPFCBWWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c1-6(7-3-2-4-11-5-7)12-15(13,14)8(9)10/h6-8,11-12H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide?
1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide has a molecular weight of 242.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 43523458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).