1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide

C10H17F3N2O4S — CID 103726412

IUPAC1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCC(O)C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O4S/c1-20(18,19)15-4-2-3-7(6-15)9(17)14-5-8(16)10(11,12)13/h7-8,16H,2-6H2,1H3,(H,14,17)
InChIKeyXPVLIDXPWJTHCG-UHFFFAOYSA-N
MW318.32 g/mol
LogP-0.30
Rot. Bonds4

About 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide

1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide (PubChem CID 103726412) has the molecular formula C10H17F3N2O4S and a molecular weight of 318.32 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
PubChem CID103726412
Molecular FormulaC10H17F3N2O4S
Molecular Weight318.32 g/mol
Exact Mass318.09
IUPAC Name1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCC(O)C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O4S/c1-20(18,19)15-4-2-3-7(6-15)9(17)14-5-8(16)10(11,12)13/h7-8,16H,2-6H2,1H3,(H,14,17)
InChIKeyXPVLIDXPWJTHCG-UHFFFAOYSA-N
XLogP-0.30
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide (CID 103726412) is 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NCC(O)C(F)(F)F)C1.
What is the InChIKey of 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The InChIKey is XPVLIDXPWJTHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4S/c1-20(18,19)15-4-2-3-7(6-15)9(17)14-5-8(16)10(11,12)13/h7-8,16H,2-6H2,1H3,(H,14,17).
What are the key properties of 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide has a molecular weight of 318.32 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 103726412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).