1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide

C12H21F3N2O3S — CID 63246471

IUPAC1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H21F3N2O3S/c13-12(14,15)9-17(10-3-5-16-6-4-10)21(18,19)8-11-2-1-7-20-11/h10-11,16H,1-9H2
InChIKeyYDNFNNTZLLKGEQ-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.11
Rot. Bonds5

About 1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide

1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 63246471) has the molecular formula C12H21F3N2O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID63246471
Molecular FormulaC12H21F3N2O3S
Molecular Weight330.37 g/mol
Exact Mass330.12
IUPAC Name1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H21F3N2O3S/c13-12(14,15)9-17(10-3-5-16-6-4-10)21(18,19)8-11-2-1-7-20-11/h10-11,16H,1-9H2
InChIKeyYDNFNNTZLLKGEQ-UHFFFAOYSA-N
XLogP1.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of 1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 63246471) is 1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for 1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for 1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide is O=S(=O)(CC1CCCO1)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is YDNFNNTZLLKGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3S/c13-12(14,15)9-17(10-3-5-16-6-4-10)21(18,19)8-11-2-1-7-20-11/h10-11,16H,1-9H2.
What are the key properties of 1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 63246471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).