N-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide

C6H12F2N2O2S — CID 171651134

IUPACN-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide
SMILESCC1(NS(C)(=O)=O)CNCC1(F)F
InChIInChI=1S/C6H12F2N2O2S/c1-5(10-13(2,11)12)3-9-4-6(5,7)8/h9-10H,3-4H2,1-2H3
InChIKeySNVMHBWMYQLEHM-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.47
Rot. Bonds2

About N-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide

N-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide (PubChem CID 171651134) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is N-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide
PubChem CID171651134
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC NameN-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide
SMILESCC1(NS(C)(=O)=O)CNCC1(F)F
InChIInChI=1S/C6H12F2N2O2S/c1-5(10-13(2,11)12)3-9-4-6(5,7)8/h9-10H,3-4H2,1-2H3
InChIKeySNVMHBWMYQLEHM-UHFFFAOYSA-N
XLogP-0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide
CID 59298226
N-(Pyrrolidine-3alpha-yl)trifluoromethanesulfonamide
CID 71194434
(3S)-3beta-(Trifluoromethylsulfonylaminomethyl)pyrrolidine
CID 58880450
1,1,1-trifluoro-N-[(5R)-5-methylpyrrolidin-3-yl]methanesulfonamide
CID 58880493
1-Trifluoromethanesulfonylpyrrolidin-3-amine
CID 62069219
1,1,1-trifluoro-N-(pyrrolidin-3-ylmethyl)methanesulfonamide
CID 69436476
1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide
CID 71194432
(R)-1-((Trifluoromethyl)sulfonyl)pyrrolidin-3-amine
CID 94340385
(S)-1-((Trifluoromethyl)sulfonyl)pyrrolidin-3-amine
CID 94340386
1,1,1-trifluoro-N-(pyrrolidin-3-yl)methanesulfonamide hydrochloride
CID 118916108
N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 169240282
N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide
CID 169240283

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of N-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide (CID 171651134) is N-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for N-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide is CC1(NS(C)(=O)=O)CNCC1(F)F.
What is the InChIKey of N-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide?
The InChIKey is SNVMHBWMYQLEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c1-5(10-13(2,11)12)3-9-4-6(5,7)8/h9-10H,3-4H2,1-2H3.
What are the key properties of N-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide?
N-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide has a molecular weight of 214.24 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoro-3-methylpyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 171651134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).