N-(2-fluoropropyl)-N-methylmethanesulfonamide

C5H12FNO2S — CID 142548580

IUPACN-(2-fluoropropyl)-N-methylmethanesulfonamide
SMILESCC(F)CN(C)S(C)(=O)=O
InChIInChI=1S/C5H12FNO2S/c1-5(6)4-7(2)10(3,8)9/h5H,4H2,1-3H3
InChIKeyCOWCVXCXQCWPQH-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.24
Rot. Bonds3

About N-(2-fluoropropyl)-N-methylmethanesulfonamide

N-(2-fluoropropyl)-N-methylmethanesulfonamide (PubChem CID 142548580) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(2-fluoropropyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-fluoropropyl)-N-methylmethanesulfonamide
PubChem CID142548580
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC NameN-(2-fluoropropyl)-N-methylmethanesulfonamide
SMILESCC(F)CN(C)S(C)(=O)=O
InChIInChI=1S/C5H12FNO2S/c1-5(6)4-7(2)10(3,8)9/h5H,4H2,1-3H3
InChIKeyCOWCVXCXQCWPQH-UHFFFAOYSA-N
XLogP0.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-hydroxy-3-[methyl(phosphanyl)amino]butyl]-N-methylmethanesulfonamide
CID 18738504
N,2-dimethyl-3-[methyl(methylsulfonyl)amino]propanamide
CID 103723774
N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide
CID 76910929
N-tert-butyl-1-[methyl(methylsulfonyl)amino]propane-2-sulfonamide
CID 118241937
N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide
CID 63400618
N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide
CID 129411516
N-(aminomethyl)-N-methylmethanesulfonamide
CID 154939817
N,2-difluoro-N-propan-2-ylpropan-1-amine
CID 171774217
N-[2-(3,3-dimethylbutan-2-yloxy)-2-methoxyethyl]-N-methylmethanesulfonamide
CID 88991732
1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol
CID 142605700
N-(2-fluoropropyl)-N,2-dimethylpropan-1-amine
CID 177032219
CID 59930128
CID 59930128

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-fluoropropyl)-N-methylmethanesulfonamide (CID 142548580) is N-(2-fluoropropyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-fluoropropyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-fluoropropyl)-N-methylmethanesulfonamide is CC(F)CN(C)S(C)(=O)=O.
What is the InChIKey of N-(2-fluoropropyl)-N-methylmethanesulfonamide?
The InChIKey is COWCVXCXQCWPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-5(6)4-7(2)10(3,8)9/h5H,4H2,1-3H3.
What are the key properties of N-(2-fluoropropyl)-N-methylmethanesulfonamide?
N-(2-fluoropropyl)-N-methylmethanesulfonamide has a molecular weight of 169.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 142548580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).