3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide

C13H19N3OS — CID 144534621

IUPAC3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide
SMILESCC1CCN(Sc2cccc(C(=O)NN)c2)CC1
InChIInChI=1S/C13H19N3OS/c1-10-5-7-16(8-6-10)18-12-4-2-3-11(9-12)13(17)15-14/h2-4,9-10H,5-8,14H2,1H3,(H,15,17)
InChIKeyVPNXOHYLEBJBLR-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.03
Rot. Bonds3

About 3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide

3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide (PubChem CID 144534621) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide
PubChem CID144534621
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide
SMILESCC1CCN(Sc2cccc(C(=O)NN)c2)CC1
InChIInChI=1S/C13H19N3OS/c1-10-5-7-16(8-6-10)18-12-4-2-3-11(9-12)13(17)15-14/h2-4,9-10H,5-8,14H2,1H3,(H,15,17)
InChIKeyVPNXOHYLEBJBLR-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
1-(3-methoxyphenyl)sulfanyl-4-(4-methylpiperidin-1-yl)piperidine
CID 146666972
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694
3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 63581632
3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051247
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109050480
3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 55214209
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119849842
3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide
CID 63584512
3-methyl-1-phenylsulfanylpyrrolidine
CID 170209492

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide (CID 144534621) is 3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide is CC1CCN(Sc2cccc(C(=O)NN)c2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide?
The InChIKey is VPNXOHYLEBJBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10-5-7-16(8-6-10)18-12-4-2-3-11(9-12)13(17)15-14/h2-4,9-10H,5-8,14H2,1H3,(H,15,17).
What are the key properties of 3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide?
3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide has a molecular weight of 265.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)sulfanylbenzohydrazide is sourced from PubChem (CID 144534621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).