3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide

C15H22N4O2S — CID 143418669

IUPAC3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide
SMILESC=Nc1ccccc1SCCNC(=O)C(=O)C(CCC)NN
InChIInChI=1S/C15H22N4O2S/c1-3-6-12(19-16)14(20)15(21)18-9-10-22-13-8-5-4-7-11(13)17-2/h4-5,7-8,12,19H,2-3,6,9-10,16H2,1H3,(H,18,21)
InChIKeySLUJZQQPARTDER-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.43
Rot. Bonds10

About 3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide

3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide (PubChem CID 143418669) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide.

Molecular Properties

Compound Name3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide
PubChem CID143418669
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide
SMILESC=Nc1ccccc1SCCNC(=O)C(=O)C(CCC)NN
InChIInChI=1S/C15H22N4O2S/c1-3-6-12(19-16)14(20)15(21)18-9-10-22-13-8-5-4-7-11(13)17-2/h4-5,7-8,12,19H,2-3,6,9-10,16H2,1H3,(H,18,21)
InChIKeySLUJZQQPARTDER-UHFFFAOYSA-N
XLogP1.43
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

S-[[2-(methylideneamino)phenyl]sulfanylmethyl] 2-(2-ethylsulfanylhex-1-en-3-ylamino)propanethioate
CID 142992117
(Z)-3,4-dimethylhex-3-ene-2,5-dione;N-methyl-1-[2-(methylideneamino)phenyl]sulfanylmethanamine
CID 143772121
2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride
CID 119272252
N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide
CID 62000119
2-amino-N-(2-phenylsulfanylethyl)hexanamide
CID 54881069
3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide
CID 23598872
2-(2-acetamidoethylsulfanyl)benzoic acid
CID 43241365
2-ethoxy-N-[[2-(methylideneamino)phenyl]sulfanylmethyl]ethanamine
CID 145376091
2-[[3-hydroxy-1-[[2-(methylideneamino)phenyl]sulfanylmethylamino]-1-oxobut-2-en-2-yl]diazenyl]benzoic acid
CID 174004697
N-pentyl-2-propylsulfanylbenzamide
CID 17310366
propan-2-yl 2-[[2-[[3-(methylamino)-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate
CID 142090678
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-(methylamino)pentan-1-one
CID 76974159

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide?
The IUPAC name of 3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide (CID 143418669) is 3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide.
What is the SMILES notation for 3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide?
The canonical SMILES for 3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide is C=Nc1ccccc1SCCNC(=O)C(=O)C(CCC)NN.
What is the InChIKey of 3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide?
The InChIKey is SLUJZQQPARTDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-3-6-12(19-16)14(20)15(21)18-9-10-22-13-8-5-4-7-11(13)17-2/h4-5,7-8,12,19H,2-3,6,9-10,16H2,1H3,(H,18,21).
What are the key properties of 3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide?
3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide has a molecular weight of 322.43 g/mol, XLogP of 1.43, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-[2-[2-(methylideneamino)phenyl]sulfanylethyl]-2-oxohexanamide is sourced from PubChem (CID 143418669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).