1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide

C8H15F3N2O2S — CID 20571268

IUPAC1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide
SMILESCC(C1CCCCN1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c1-6(7-4-2-3-5-12-7)13-16(14,15)8(9,10)11/h6-7,12-13H,2-5H2,1H3
InChIKeyVHCCUDHRWZMBPN-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.50
Rot. Bonds3

About 1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide

1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide (PubChem CID 20571268) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide
PubChem CID20571268
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide
SMILESCC(C1CCCCN1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c1-6(7-4-2-3-5-12-7)13-16(14,15)8(9,10)11/h6-7,12-13H,2-5H2,1H3
InChIKeyVHCCUDHRWZMBPN-UHFFFAOYSA-N
XLogP1.50
TPSA66.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity323

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,2-difluoroethyl)-1-methanesulfonylpiperidin-4-amine hydrochloride
CID 91654571
N-(2,2-Difluoroethyl)-1-methanesulfonylpiperidin-4-amine
CID 60921764
N-(4-Piperidinyl)trifluoromethanesulfonamide
CID 11117910
1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide
CID 20571260
(3R)-1-(difluoromethylsulfonyl)piperidin-3-amine
CID 28607121
1-(Difluoromethylsulfonyl)piperidin-3-amine
CID 43200318
1-Trifluoromethanesulfonylpiperidin-3-amine
CID 43605498
1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 54471694
1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide
CID 58736222
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperazine
CID 58861604
1-Trifluoromethanesulfonylpiperidin-3-aminehydrochloride
CID 66846267
N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine
CID 70821116

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide (CID 20571268) is 1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide is CC(C1CCCCN1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide?
The InChIKey is VHCCUDHRWZMBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-6(7-4-2-3-5-12-7)13-16(14,15)8(9,10)11/h6-7,12-13H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide?
1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide has a molecular weight of 260.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide is sourced from PubChem (CID 20571268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).