4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C10H18F3N3O3S — CID 47480492

IUPAC4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCN(C1CCN(C(=O)NCC(F)(F)F)CC1)S(C)(=O)=O
InChIInChI=1S/C10H18F3N3O3S/c1-15(20(2,18)19)8-3-5-16(6-4-8)9(17)14-7-10(11,12)13/h8H,3-7H2,1-2H3,(H,14,17)
InChIKeyOCLAWVBEHBHPNA-UHFFFAOYSA-N
MW317.33 g/mol
LogP0.61
Rot. Bonds3

About 4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 47480492) has the molecular formula C10H18F3N3O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID47480492
Molecular FormulaC10H18F3N3O3S
Molecular Weight317.33 g/mol
Exact Mass317.10
IUPAC Name4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCN(C1CCN(C(=O)NCC(F)(F)F)CC1)S(C)(=O)=O
InChIInChI=1S/C10H18F3N3O3S/c1-15(20(2,18)19)8-3-5-16(6-4-8)9(17)14-7-10(11,12)13/h8H,3-7H2,1-2H3,(H,14,17)
InChIKeyOCLAWVBEHBHPNA-UHFFFAOYSA-N
XLogP0.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 47480492) is 4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is CN(C1CCN(C(=O)NCC(F)(F)F)CC1)S(C)(=O)=O.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is OCLAWVBEHBHPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3S/c1-15(20(2,18)19)8-3-5-16(6-4-8)9(17)14-7-10(11,12)13/h8H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 317.33 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 47480492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).