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

C8H15F3N2O2S — CID 63227995

IUPAC1-pyrrolidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)3-5-13-16(14,15)6-7-2-1-4-12-7/h7,12-13H,1-6H2
InChIKeyHGQTVYSGOCVJDP-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.61
Rot. Bonds5

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

1-pyrrolidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide (PubChem CID 63227995) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-pyrrolidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide.

Molecular Properties

Compound Name1-pyrrolidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide
PubChem CID63227995
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name1-pyrrolidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)3-5-13-16(14,15)6-7-2-1-4-12-7/h7,12-13H,1-6H2
InChIKeyHGQTVYSGOCVJDP-UHFFFAOYSA-N
XLogP0.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The IUPAC name of 1-pyrrolidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide (CID 63227995) is 1-pyrrolidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide.
What is the SMILES notation for 1-pyrrolidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The canonical SMILES for 1-pyrrolidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide is O=S(=O)(CC1CCCN1)NCCC(F)(F)F.
What is the InChIKey of 1-pyrrolidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide?
The InChIKey is HGQTVYSGOCVJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c9-8(10,11)3-5-13-16(14,15)6-7-2-1-4-12-7/h7,12-13H,1-6H2.
What are the key properties of 1-pyrrolidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide?
1-pyrrolidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide has a molecular weight of 260.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide is sourced from PubChem (CID 63227995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).