3-(3-aminopropylsulfanylmethyl)benzohydrazide

C11H17N3OS — CID 66219490

IUPAC3-(3-aminopropylsulfanylmethyl)benzohydrazide
SMILESNCCCSCc1cccc(C(=O)NN)c1
InChIInChI=1S/C11H17N3OS/c12-5-2-6-16-8-9-3-1-4-10(7-9)11(15)14-13/h1,3-4,7H,2,5-6,8,12-13H2,(H,14,15)
InChIKeyMHQKWKRPWZNTSF-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.87
Rot. Bonds6

About 3-(3-aminopropylsulfanylmethyl)benzohydrazide

3-(3-aminopropylsulfanylmethyl)benzohydrazide (PubChem CID 66219490) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(3-aminopropylsulfanylmethyl)benzohydrazide.

Molecular Properties

Compound Name3-(3-aminopropylsulfanylmethyl)benzohydrazide
PubChem CID66219490
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-(3-aminopropylsulfanylmethyl)benzohydrazide
SMILESNCCCSCc1cccc(C(=O)NN)c1
InChIInChI=1S/C11H17N3OS/c12-5-2-6-16-8-9-3-1-4-10(7-9)11(15)14-13/h1,3-4,7H,2,5-6,8,12-13H2,(H,14,15)
InChIKeyMHQKWKRPWZNTSF-UHFFFAOYSA-N
XLogP0.87
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-aminopropylsulfanylmethyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide
CID 66242468
3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
CID 55213516
3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
CID 63581182
3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 63582189
3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 63581632
3-(thiophen-2-ylsulfanylmethyl)benzohydrazide
CID 63580079
4-[(3-carbamothioylphenyl)methylsulfanyl]butanoic acid
CID 82178711
4-(3-aminopropylsulfanylmethyl)benzamide
CID 66219578
3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzohydrazide
CID 63581336
3-(cyanomethyl)benzohydrazide
CID 68715824
3-prop-2-enylbenzohydrazide
CID 20555786
5-[(3-methoxycarbonylphenyl)methylsulfanyl]pentanoic acid
CID 117097914

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropylsulfanylmethyl)benzohydrazide?
The IUPAC name of 3-(3-aminopropylsulfanylmethyl)benzohydrazide (CID 66219490) is 3-(3-aminopropylsulfanylmethyl)benzohydrazide.
What is the SMILES notation for 3-(3-aminopropylsulfanylmethyl)benzohydrazide?
The canonical SMILES for 3-(3-aminopropylsulfanylmethyl)benzohydrazide is NCCCSCc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-(3-aminopropylsulfanylmethyl)benzohydrazide?
The InChIKey is MHQKWKRPWZNTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c12-5-2-6-16-8-9-3-1-4-10(7-9)11(15)14-13/h1,3-4,7H,2,5-6,8,12-13H2,(H,14,15).
What are the key properties of 3-(3-aminopropylsulfanylmethyl)benzohydrazide?
3-(3-aminopropylsulfanylmethyl)benzohydrazide has a molecular weight of 239.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylsulfanylmethyl)benzohydrazide is sourced from PubChem (CID 66219490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).