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

C8H16F2N2O2S — CID 60807175

IUPAC1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c1-2-5-12(7-3-4-11-6-7)15(13,14)8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyRQNBHIBAQHOSSK-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.61
Rot. Bonds5

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

1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide (PubChem CID 60807175) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is 1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
PubChem CID60807175
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC Name1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c1-2-5-12(7-3-4-11-6-7)15(13,14)8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyRQNBHIBAQHOSSK-UHFFFAOYSA-N
XLogP0.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
1-methanesulfonyl-N-methylpyrrolidin-3-amine hydrochloride
CID 119031901

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide (CID 60807175) is 1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide is CCCN(C1CCNC1)S(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide?
The InChIKey is RQNBHIBAQHOSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c1-2-5-12(7-3-4-11-6-7)15(13,14)8(9)10/h7-8,11H,2-6H2,1H3.
What are the key properties of 1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide?
1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide has a molecular weight of 242.29 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide is sourced from PubChem (CID 60807175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).