(3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

C7H14F3N3O2S — CID 102984427

IUPAC(3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESN[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)5-12-16(14,15)13-3-1-2-6(11)4-13/h6,12H,1-5,11H2/t6-/m1/s1
InChIKeySIEUZRGEETWYKR-ZCFIWIBFSA-N
MW261.27 g/mol
LogP-0.19
Rot. Bonds3

About (3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

(3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (PubChem CID 102984427) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is (3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
PubChem CID102984427
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC Name(3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESN[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)5-12-16(14,15)13-3-1-2-6(11)4-13/h6,12H,1-5,11H2/t6-/m1/s1
InChIKeySIEUZRGEETWYKR-ZCFIWIBFSA-N
XLogP-0.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-propylpiperidine-1-sulfonamide
CID 114803216
(3R)-3-aminopiperidine-1-sulfonamide
CID 102984338
(3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 104978203
3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 114808689
(3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine
CID 170364525
(3R)-1-cyclopropylsulfonylpiperidin-3-amine
CID 95378411
(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569
(4aS,7aS)-N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-sulfonamide
CID 102681085
1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120706026
1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119998731
N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 106126037
5-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 114810850

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The IUPAC name of (3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (CID 102984427) is (3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The canonical SMILES for (3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is N[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of (3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The InChIKey is SIEUZRGEETWYKR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c8-7(9,10)5-12-16(14,15)13-3-1-2-6(11)4-13/h6,12H,1-5,11H2/t6-/m1/s1.
What are the key properties of (3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
(3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide has a molecular weight of 261.27 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 102984427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).