N-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide

C4H8N2O2S — CID 173467220

IUPACN-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide
SMILESCS(=O)(=O)N=C/C=C\N
InChIInChI=1S/C4H8N2O2S/c1-9(7,8)6-4-2-3-5/h2-4H,5H2,1H3/b3-2-,6-4?
InChIKeyZQDAODUQJIYERM-WFFKOMBOSA-N
MW148.19 g/mol
LogP-0.51
Rot. Bonds2

About N-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide

N-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide (PubChem CID 173467220) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is N-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide.

Molecular Properties

Compound NameN-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide
PubChem CID173467220
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC NameN-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide
SMILESCS(=O)(=O)N=C/C=C\N
InChIInChI=1S/C4H8N2O2S/c1-9(7,8)6-4-2-3-5/h2-4H,5H2,1H3/b3-2-,6-4?
InChIKeyZQDAODUQJIYERM-WFFKOMBOSA-N
XLogP-0.51
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide?
The IUPAC name of N-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide (CID 173467220) is N-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide.
What is the SMILES notation for N-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide?
The canonical SMILES for N-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide is CS(=O)(=O)N=C/C=C\N.
What is the InChIKey of N-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide?
The InChIKey is ZQDAODUQJIYERM-WFFKOMBOSA-N. The full InChI is InChI=1S/C4H8N2O2S/c1-9(7,8)6-4-2-3-5/h2-4H,5H2,1H3/b3-2-,6-4?.
What are the key properties of N-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide?
N-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide has a molecular weight of 148.19 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide is sourced from PubChem (CID 173467220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).