4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide

C10H19F3N2O2S — CID 99920907

IUPAC4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide
SMILESC[C@H]1CNCC[C@H]1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-8-7-14-5-3-9(8)15-18(16,17)6-2-4-10(11,12)13/h8-9,14-15H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyYEFVIVWDBCDPHF-DTWKUNHWSA-N
MW288.34 g/mol
LogP1.25
Rot. Bonds5

About 4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide

4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide (PubChem CID 99920907) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide
PubChem CID99920907
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC Name4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide
SMILESC[C@H]1CNCC[C@H]1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-8-7-14-5-3-9(8)15-18(16,17)6-2-4-10(11,12)13/h8-9,14-15H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyYEFVIVWDBCDPHF-DTWKUNHWSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(3-methylpiperidin-4-yl)propane-1-sulfonamide
CID 79887328
3-methyl-N-(3-methylpiperidin-4-yl)butane-1-sulfonamide;hydrochloride
CID 120724931
2-ethoxy-N-(3-methylpiperidin-4-yl)ethanesulfonamide
CID 79886103
4,4,4-trifluoro-N-(pyrrolidin-3-ylmethyl)butane-1-sulfonamide
CID 83060140
N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059853
N-[2-(chloromethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114179813
(3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine
CID 99714412
4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
CID 120874709
N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 124516977
4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 120725183
N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride
CID 120723171
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide (CID 99920907) is 4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide is C[C@H]1CNCC[C@H]1NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide?
The InChIKey is YEFVIVWDBCDPHF-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-8-7-14-5-3-9(8)15-18(16,17)6-2-4-10(11,12)13/h8-9,14-15H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of 4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide?
4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]butane-1-sulfonamide is sourced from PubChem (CID 99920907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).