3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide

C12H18N2OS — CID 63580962

IUPAC3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide
SMILESCc1ccc(SC(C(=O)NN)C(C)C)cc1
InChIInChI=1S/C12H18N2OS/c1-8(2)11(12(15)14-13)16-10-6-4-9(3)5-7-10/h4-8,11H,13H2,1-3H3,(H,14,15)
InChIKeyHIVWIKUMPDSXSP-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.10
Rot. Bonds4

About 3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide

3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide (PubChem CID 63580962) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide
PubChem CID63580962
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide
SMILESCc1ccc(SC(C(=O)NN)C(C)C)cc1
InChIInChI=1S/C12H18N2OS/c1-8(2)11(12(15)14-13)16-10-6-4-9(3)5-7-10/h4-8,11H,13H2,1-3H3,(H,14,15)
InChIKeyHIVWIKUMPDSXSP-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.10
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide
CID 63590109
2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide
CID 63581762
2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide
CID 55215053
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide
CID 106926301
2-(2-amino-5-chlorophenyl)sulfanyl-3-methylbutanehydrazide
CID 79527866
2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide
CID 63589205
3-methyl-2-(4-methylphenyl)sulfanylpentanoic acid
CID 79444522
N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2943102
(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide
CID 131851094
2-[(3-methyl-2-phenylsulfanylbutanoyl)amino]acetic acid
CID 82042816
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
2-(1H-benzimidazol-2-ylsulfanyl)-3-methylbutanehydrazide
CID 63581693

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide?
The IUPAC name of 3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide (CID 63580962) is 3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide.
What is the SMILES notation for 3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide?
The canonical SMILES for 3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide is Cc1ccc(SC(C(=O)NN)C(C)C)cc1.
What is the InChIKey of 3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide?
The InChIKey is HIVWIKUMPDSXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8(2)11(12(15)14-13)16-10-6-4-9(3)5-7-10/h4-8,11H,13H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide?
3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide has a molecular weight of 238.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide is sourced from PubChem (CID 63580962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).