(3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide

C10H19F3N2O2S — CID 51930229

IUPAC(3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-3-14(4-2)18(16,17)15-7-5-6-9(8-15)10(11,12)13/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyBXNDXPHWIWJLCI-VIFPVBQESA-N
MW288.34 g/mol
LogP1.85
Rot. Bonds4

About (3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide

(3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide (PubChem CID 51930229) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is (3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide
PubChem CID51930229
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC Name(3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-3-14(4-2)18(16,17)15-7-5-6-9(8-15)10(11,12)13/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyBXNDXPHWIWJLCI-VIFPVBQESA-N
XLogP1.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,4-trimethylpiperidine-1-sulfonamide
CID 224932
4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 20782490
3-methyl-N-(trifluoromethyl)piperidine-1-sulfonamide
CID 22008409
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227866
3-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227876
4-(Trifluoromethyl)piperidine-1-sulfonamide
CID 58349803
3-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 58689229
1-Butyl-1-methyl-3-methylpiperidinium bis[(trifluoromethyl)sulfonyl]imide
CID 60145279
3,5-Diethyl-1-(trifluoromethylsulfonyl)piperidine
CID 67670672
3-(Trifluoromethyl)piperidine-1-sulfinate
CID 71259892
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)-3,5-dimethylpiperidine
CID 88869798
N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 127364964

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide?
The IUPAC name of (3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide (CID 51930229) is (3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide?
The canonical SMILES for (3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of (3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide?
The InChIKey is BXNDXPHWIWJLCI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-3-14(4-2)18(16,17)15-7-5-6-9(8-15)10(11,12)13/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide?
(3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 51930229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).