3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide

C9H17F3N2O2S — CID 115666083

IUPAC3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)8-2-5-14(6-3-8)4-1-7-17(13,15)16/h8H,1-7H2,(H2,13,15,16)
InChIKeyQWVUPGARUZNJOH-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.94
Rot. Bonds4

About 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide

3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide (PubChem CID 115666083) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide
PubChem CID115666083
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)8-2-5-14(6-3-8)4-1-7-17(13,15)16/h8H,1-7H2,(H2,13,15,16)
InChIKeyQWVUPGARUZNJOH-UHFFFAOYSA-N
XLogP0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Isobutyl-4-{1-[(2,2,2-trifluoroethyl)sulfonyl]-3-pyrrolidinyl}piperidine
CID 45249519
2-Methyl-8-[(3,3,3-trifluoropropyl)sulfonyl]-2,8-diazaspiro[4.5]decane
CID 50949833
4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
4-Methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59862750
4-Propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59921674
4-Methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 71114479
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 71194517
1-(2,2,2-Trifluoroethyl)piperidine-4-sulfonamide
CID 114999463
(3R,4R)-4-methyl-3-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 117882305
(3R,4R)-3,4-dimethyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 117884544
1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]sulfonylpropane-1-sulfonamide
CID 118029379
1,1,2,2,3,3-hexafluoro-3-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 118030921

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide?
The IUPAC name of 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide (CID 115666083) is 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide?
The canonical SMILES for 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide is NS(=O)(=O)CCCN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide?
The InChIKey is QWVUPGARUZNJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)8-2-5-14(6-3-8)4-1-7-17(13,15)16/h8H,1-7H2,(H2,13,15,16).
What are the key properties of 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide?
3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide has a molecular weight of 274.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 115666083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).