N-prop-1-en-2-ylmethanesulfonamide

C4H9NO2S — CID 90209425

IUPACN-prop-1-en-2-ylmethanesulfonamide
SMILESC=C(C)NS(C)(=O)=O
InChIInChI=1S/C4H9NO2S/c1-4(2)5-8(3,6)7/h5H,1H2,2-3H3
InChIKeyLKXJZTVYEXCEID-UHFFFAOYSA-N
MW135.19 g/mol
LogP0.07
Rot. Bonds2

About N-prop-1-en-2-ylmethanesulfonamide

N-prop-1-en-2-ylmethanesulfonamide (PubChem CID 90209425) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is N-prop-1-en-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-prop-1-en-2-ylmethanesulfonamide
PubChem CID90209425
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC NameN-prop-1-en-2-ylmethanesulfonamide
SMILESC=C(C)NS(C)(=O)=O
InChIInChI=1S/C4H9NO2S/c1-4(2)5-8(3,6)7/h5H,1H2,2-3H3
InChIKeyLKXJZTVYEXCEID-UHFFFAOYSA-N
XLogP0.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-ylmethanesulfonamide?
The IUPAC name of N-prop-1-en-2-ylmethanesulfonamide (CID 90209425) is N-prop-1-en-2-ylmethanesulfonamide.
What is the SMILES notation for N-prop-1-en-2-ylmethanesulfonamide?
The canonical SMILES for N-prop-1-en-2-ylmethanesulfonamide is C=C(C)NS(C)(=O)=O.
What is the InChIKey of N-prop-1-en-2-ylmethanesulfonamide?
The InChIKey is LKXJZTVYEXCEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-4(2)5-8(3,6)7/h5H,1H2,2-3H3.
What are the key properties of N-prop-1-en-2-ylmethanesulfonamide?
N-prop-1-en-2-ylmethanesulfonamide has a molecular weight of 135.19 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-ylmethanesulfonamide is sourced from PubChem (CID 90209425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).