N-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide

C6H12N2O4S2 — CID 87377827

IUPACN-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide
SMILESC=CCN(S(N)(=O)=O)S(=O)(=O)CC=C
InChIInChI=1S/C6H12N2O4S2/c1-3-5-8(14(7,11)12)13(9,10)6-4-2/h3-4H,1-2,5-6H2,(H2,7,11,12)
InChIKeyOUZMFNQSMWQMIJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.81
Rot. Bonds6

About N-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide

N-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide (PubChem CID 87377827) has the molecular formula C6H12N2O4S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide
PubChem CID87377827
Molecular FormulaC6H12N2O4S2
Molecular Weight240.31 g/mol
Exact Mass240.02
IUPAC NameN-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide
SMILESC=CCN(S(N)(=O)=O)S(=O)(=O)CC=C
InChIInChI=1S/C6H12N2O4S2/c1-3-5-8(14(7,11)12)13(9,10)6-4-2/h3-4H,1-2,5-6H2,(H2,7,11,12)
InChIKeyOUZMFNQSMWQMIJ-UHFFFAOYSA-N
XLogP-0.81
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methylsulfonyl-N-prop-2-enylmethanesulfonamide
CID 13122211
1-prop-2-enyl-1-prop-2-enylsulfonylguanidine
CID 174278110
chloromethane;prop-2-ene-1-sulfonamide
CID 174937700
N-ethyl-N-propylprop-2-ene-1-sulfonamide
CID 143361636
N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide
CID 79672794
N,N-diphenylprop-2-ene-1-sulfonamide
CID 175235096
prop-2-enylsulfonyl prop-2-ene-1-sulfonate
CID 18671222
prop-2-enylsulfonylformamide
CID 87300563
2-methylpropane-2-sulfonamide;S-prop-2-enylthiohydroxylamine
CID 174915958
CID 87084309
CID 87084309
phosphane;prop-2-ene-1-sulfonic acid
CID 87475193
nickel;prop-2-ene-1-sulfonic acid
CID 87111330

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide?
The IUPAC name of N-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide (CID 87377827) is N-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide?
The canonical SMILES for N-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide is C=CCN(S(N)(=O)=O)S(=O)(=O)CC=C.
What is the InChIKey of N-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide?
The InChIKey is OUZMFNQSMWQMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S2/c1-3-5-8(14(7,11)12)13(9,10)6-4-2/h3-4H,1-2,5-6H2,(H2,7,11,12).
What are the key properties of N-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide?
N-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide has a molecular weight of 240.31 g/mol, XLogP of -0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-sulfamoylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 87377827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).