2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide

C9H17F3N2O3S — CID 103834013

IUPAC2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3S/c1-7-4-2-3-5-14(7)18(16,17)13-6-8(15)9(10,11)12/h7-8,13,15H,2-6H2,1H3
InChIKeyKNXNVMNLMNXHLX-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.62
Rot. Bonds4

About 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide

2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide (PubChem CID 103834013) has the molecular formula C9H17F3N2O3S and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide
PubChem CID103834013
Molecular FormulaC9H17F3N2O3S
Molecular Weight290.31 g/mol
Exact Mass290.09
IUPAC Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3S/c1-7-4-2-3-5-14(7)18(16,17)13-6-8(15)9(10,11)12/h7-8,13,15H,2-6H2,1H3
InChIKeyKNXNVMNLMNXHLX-UHFFFAOYSA-N
XLogP0.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide?
The IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide (CID 103834013) is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide?
The InChIKey is KNXNVMNLMNXHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3S/c1-7-4-2-3-5-14(7)18(16,17)13-6-8(15)9(10,11)12/h7-8,13,15H,2-6H2,1H3.
What are the key properties of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide?
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide has a molecular weight of 290.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 103834013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).