N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide

C9H17F3N2O2S — CID 127770386

IUPACN-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O2S/c1-7(2)13-17(15,16)14-5-3-8(4-6-14)9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyDPCALHNUWIHACW-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.50
Rot. Bonds3

About N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide

N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide (PubChem CID 127770386) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide
PubChem CID127770386
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O2S/c1-7(2)13-17(15,16)14-5-3-8(4-6-14)9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyDPCALHNUWIHACW-UHFFFAOYSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
CID 71756529
N-cyclopentyl-4-methylpiperidine-1-sulfonamide
CID 43053240
4-methyl-N-(3-methylbutan-2-yl)piperidine-1-sulfonamide
CID 43053258
4-[[(2S)-3-methylbutan-2-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 97820897
2-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17762144
2-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]ethanamine
CID 17762145
1-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethanamine
CID 63597114
(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine
CID 96645580
N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 121357711
N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 127364964
N-methyl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 128360905
2,2,2-Trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 129298367

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide?
The IUPAC name of N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide (CID 127770386) is N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide is CC(C)NS(=O)(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide?
The InChIKey is DPCALHNUWIHACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-7(2)13-17(15,16)14-5-3-8(4-6-14)9(10,11)12/h7-8,13H,3-6H2,1-2H3.
What are the key properties of N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide?
N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 127770386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).