fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide

C6H12FNO2S — CID 143377491

IUPACfluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide
SMILESC#CCN(C)S(C)(=O)=O.CF
InChIInChI=1S/C5H9NO2S.CH3F/c1-4-5-6(2)9(3,7)8;1-2/h1H,5H2,2-3H3;1H3
InChIKeyFICHQUYHCDNGBT-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.10
Rot. Bonds2

About fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide

fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide (PubChem CID 143377491) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide.

Molecular Properties

Compound Namefluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide
PubChem CID143377491
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Namefluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide
SMILESC#CCN(C)S(C)(=O)=O.CF
InChIInChI=1S/C5H9NO2S.CH3F/c1-4-5-6(2)9(3,7)8;1-2/h1H,5H2,2-3H3;1H3
InChIKeyFICHQUYHCDNGBT-UHFFFAOYSA-N
XLogP0.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(tert-butylsulfonimidoyl)-N-methylprop-2-yn-1-amine
CID 164644447
N-(2-fluoropropyl)-N-methylmethanesulfonamide
CID 142548580
N-(aminomethyl)-N-methylmethanesulfonamide
CID 154939817
N-(3-methylbut-2-enyl)-N-prop-2-ynylmethanesulfonamide
CID 102219436
4-fluoro-N,2,6-trimethyl-3-nitro-N-prop-2-ynylbenzenesulfonamide
CID 107327357
1-(3-fluoro-4-methylphenyl)-N-methyl-N-prop-2-ynylmethanesulfonamide
CID 99837750
N-chloro-N-methylmethanesulfonamide
CID 22136679
N-(2-iodoethyl)-N-methylmethanesulfonamide
CID 21344429
CID 58544189
CID 58544189
N,N-diethynylmethanesulfonamide
CID 23528311
N-[3-[fluoro(dimethyl)-λ4-sulfanyl]propyl]-N-methylmethanesulfonamide
CID 174339591
5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 82885260

Frequently Asked Questions

What is the IUPAC name of fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide?
The IUPAC name of fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide (CID 143377491) is fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide.
What is the SMILES notation for fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide?
The canonical SMILES for fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide is C#CCN(C)S(C)(=O)=O.CF.
What is the InChIKey of fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide?
The InChIKey is FICHQUYHCDNGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S.CH3F/c1-4-5-6(2)9(3,7)8;1-2/h1H,5H2,2-3H3;1H3.
What are the key properties of fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide?
fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide has a molecular weight of 181.23 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;N-methyl-N-prop-2-ynylmethanesulfonamide is sourced from PubChem (CID 143377491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).