N-prop-2-enyl-3-sulfanylpropanehydrazide

C6H12N2OS — CID 88672663

IUPACN-prop-2-enyl-3-sulfanylpropanehydrazide
SMILESC=CCN(N)C(=O)CCS
InChIInChI=1S/C6H12N2OS/c1-2-4-8(7)6(9)3-5-10/h2,10H,1,3-5,7H2
InChIKeyBIIIWXRSDASILI-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.19
Rot. Bonds4

About N-prop-2-enyl-3-sulfanylpropanehydrazide

N-prop-2-enyl-3-sulfanylpropanehydrazide (PubChem CID 88672663) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is N-prop-2-enyl-3-sulfanylpropanehydrazide.

Molecular Properties

Compound NameN-prop-2-enyl-3-sulfanylpropanehydrazide
PubChem CID88672663
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC NameN-prop-2-enyl-3-sulfanylpropanehydrazide
SMILESC=CCN(N)C(=O)CCS
InChIInChI=1S/C6H12N2OS/c1-2-4-8(7)6(9)3-5-10/h2,10H,1,3-5,7H2
InChIKeyBIIIWXRSDASILI-UHFFFAOYSA-N
XLogP0.19
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,4-dioxane;N-prop-2-enylprop-2-enehydrazide
CID 174255725
bis(prop-2-enyl)carbamothioic S-acid;carbamothioic S-acid
CID 87059651
N,N-bis(2-amino-2-oxoethyl)-3-sulfanylpropanamide
CID 107028882
N-methyl-N-prop-2-enyl-3-(3-sulfanylpropylsulfanyl)propanamide
CID 118943987
3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide
CID 118066186
2-aminoethanethiol;prop-2-enoic acid
CID 159161663
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
4-oxo-N,N-bis(prop-2-enyl)butanamide
CID 173364816
1,5-bis[bis(prop-2-enyl)amino]pentan-3-one
CID 174738090
butane-2,3-dione;N,N-dimethylprop-2-en-1-amine;hydrochloride
CID 174374169
2-fluoro-N,N-bis(prop-2-enyl)acetamide
CID 176847586

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-sulfanylpropanehydrazide?
The IUPAC name of N-prop-2-enyl-3-sulfanylpropanehydrazide (CID 88672663) is N-prop-2-enyl-3-sulfanylpropanehydrazide.
What is the SMILES notation for N-prop-2-enyl-3-sulfanylpropanehydrazide?
The canonical SMILES for N-prop-2-enyl-3-sulfanylpropanehydrazide is C=CCN(N)C(=O)CCS.
What is the InChIKey of N-prop-2-enyl-3-sulfanylpropanehydrazide?
The InChIKey is BIIIWXRSDASILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-2-4-8(7)6(9)3-5-10/h2,10H,1,3-5,7H2.
What are the key properties of N-prop-2-enyl-3-sulfanylpropanehydrazide?
N-prop-2-enyl-3-sulfanylpropanehydrazide has a molecular weight of 160.24 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-sulfanylpropanehydrazide is sourced from PubChem (CID 88672663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).