1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide

C9H17F3N2O2S — CID 63227994

IUPAC1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)NCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)4-6-14-17(15,16)7-8-3-1-2-5-13-8/h8,13-14H,1-7H2
InChIKeyCVIZHAKVCLQPAX-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.00
Rot. Bonds5

About 1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide

1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide (PubChem CID 63227994) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide.

Molecular Properties

Compound Name1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide
PubChem CID63227994
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)NCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)4-6-14-17(15,16)7-8-3-1-2-5-13-8/h8,13-14H,1-7H2
InChIKeyCVIZHAKVCLQPAX-UHFFFAOYSA-N
XLogP1.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The IUPAC name of 1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide (CID 63227994) is 1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide.
What is the SMILES notation for 1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The canonical SMILES for 1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide is O=S(=O)(CC1CCCCN1)NCCC(F)(F)F.
What is the InChIKey of 1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The InChIKey is CVIZHAKVCLQPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)4-6-14-17(15,16)7-8-3-1-2-5-13-8/h8,13-14H,1-7H2.
What are the key properties of 1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide?
1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide is sourced from PubChem (CID 63227994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).