1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide

C8H15F3N2O2S — CID 63301063

IUPAC1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c1-2-5-13(7-3-4-12-6-7)16(14,15)8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyVYMXJWMBCRMROP-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.91
Rot. Bonds4

About 1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide

1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide (PubChem CID 63301063) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
PubChem CID63301063
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c1-2-5-13(7-3-4-12-6-7)16(14,15)8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyVYMXJWMBCRMROP-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide
CID 11368252
(R)-1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 70700475
N-(pyrrolidin-3-yl)methanesulfonamide hydrochloride
CID 54593949
N-[(3S)-pyrrolidin-3-yl]methanesulfonamide hydrochloride
CID 67249206
N-((3R)-pyrrolidin-3-yl)methanesulfonamide hydrochloride
CID 137965899
1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 53412406
1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide
CID 59298226
Pyrrolidine trifluoromethanesulfonamide
CID 66808720
N-(Pyrrolidine-3alpha-yl)trifluoromethanesulfonamide
CID 71194434
N-(Pyrrolidin-3-yl)methanesulfonamide
CID 22352625
3-Amino-1-methanesulfonylpyrrolidine
CID 53393253
1-methanesulfonyl-N-methylpyrrolidin-3-amine
CID 59686798

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide (CID 63301063) is 1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide is CCCN(C1CCNC1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide?
The InChIKey is VYMXJWMBCRMROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-2-5-13(7-3-4-12-6-7)16(14,15)8(9,10)11/h7,12H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide?
1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide has a molecular weight of 260.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide is sourced from PubChem (CID 63301063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).