(3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C7H14F3N3O2S — CID 104978203

IUPAC(3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESC[C@H]1CN(S(=O)(=O)NCC(F)(F)F)CCN1
InChIInChI=1S/C7H14F3N3O2S/c1-6-4-13(3-2-11-6)16(14,15)12-5-7(8,9)10/h6,11-12H,2-5H2,1H3/t6-/m0/s1
InChIKeyRDCWHECHJJULLM-LURJTMIESA-N
MW261.27 g/mol
LogP-0.32
Rot. Bonds3

About (3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

(3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 104978203) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is (3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID104978203
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC Name(3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESC[C@H]1CN(S(=O)(=O)NCC(F)(F)F)CCN1
InChIInChI=1S/C7H14F3N3O2S/c1-6-4-13(3-2-11-6)16(14,15)12-5-7(8,9)10/h6,11-12H,2-5H2,1H3/t6-/m0/s1
InChIKeyRDCWHECHJJULLM-LURJTMIESA-N
XLogP-0.32
TPSA61.44 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 ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 114808689
(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide
CID 104978727
3-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 114810913
N-cyclopropyl-3-methylpiperazine-1-sulfonamide
CID 114810914
(3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide
CID 104978207
1-(difluoromethylsulfonyl)-3-methylpiperazine
CID 65450334
(3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 102984427
(4aS,7aS)-N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-sulfonamide
CID 102681085
(3R)-3-methylpiperazine-1-sulfonyl chloride
CID 167734783
3-methyl-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-sulfonamide
CID 107388807
3-(3-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119982284
3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 104978049

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of (3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 104978203) is (3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for (3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for (3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is C[C@H]1CN(S(=O)(=O)NCC(F)(F)F)CCN1.
What is the InChIKey of (3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is RDCWHECHJJULLM-LURJTMIESA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c1-6-4-13(3-2-11-6)16(14,15)12-5-7(8,9)10/h6,11-12H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
(3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 261.27 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 104978203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).