N-prop-2-enylmethanesulfonamide

C4H9NO2S — CID 4675024

IUPACN-prop-2-enylmethanesulfonamide
SMILESC=CCNS(C)(=O)=O
InChIInChI=1S/C4H9NO2S/c1-3-4-5-8(2,6)7/h3,5H,1,4H2,2H3
InChIKeyTYVZEADQWCCODY-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.28
Rot. Bonds3

About N-prop-2-enylmethanesulfonamide

N-prop-2-enylmethanesulfonamide (PubChem CID 4675024) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is N-prop-2-enylmethanesulfonamide.

Molecular Properties

Compound NameN-prop-2-enylmethanesulfonamide
PubChem CID4675024
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC NameN-prop-2-enylmethanesulfonamide
SMILESC=CCNS(C)(=O)=O
InChIInChI=1S/C4H9NO2S/c1-3-4-5-8(2,6)7/h3,5H,1,4H2,2H3
InChIKeyTYVZEADQWCCODY-UHFFFAOYSA-N
XLogP-0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylmethanesulfonamide?
The IUPAC name of N-prop-2-enylmethanesulfonamide (CID 4675024) is N-prop-2-enylmethanesulfonamide.
What is the SMILES notation for N-prop-2-enylmethanesulfonamide?
The canonical SMILES for N-prop-2-enylmethanesulfonamide is C=CCNS(C)(=O)=O.
What is the InChIKey of N-prop-2-enylmethanesulfonamide?
The InChIKey is TYVZEADQWCCODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-3-4-5-8(2,6)7/h3,5H,1,4H2,2H3.
What are the key properties of N-prop-2-enylmethanesulfonamide?
N-prop-2-enylmethanesulfonamide has a molecular weight of 135.19 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 4675024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).