3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide

C13H21N3OS — CID 63639193

IUPAC3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccsc1C(=O)NN)C1CCCCC1
InChIInChI=1S/C13H21N3OS/c1-16(11-5-3-2-4-6-11)9-10-7-8-18-12(10)13(17)15-14/h7-8,11H,2-6,9,14H2,1H3,(H,15,17)
InChIKeyKLLJTDIPOPPTTF-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.12
Rot. Bonds4

About 3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide

3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 63639193) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID63639193
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccsc1C(=O)NN)C1CCCCC1
InChIInChI=1S/C13H21N3OS/c1-16(11-5-3-2-4-6-11)9-10-7-8-18-12(10)13(17)15-14/h7-8,11H,2-6,9,14H2,1H3,(H,15,17)
InChIKeyKLLJTDIPOPPTTF-UHFFFAOYSA-N
XLogP2.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.12
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'}

Analyze 3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide 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

4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide
CID 63571457
3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63640202
3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 79858524
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide
CID 113476710
3-(cyclopentylmethoxymethyl)thiophene-2-carbohydrazide
CID 66322938
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carbohydrazide
CID 113336319
5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 63572192
5-[[cyclohexyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 55214014
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640383
3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640253
3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63641063
3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 55246094

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide (CID 63639193) is 3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide is CN(Cc1ccsc1C(=O)NN)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is KLLJTDIPOPPTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-16(11-5-3-2-4-6-11)9-10-7-8-18-12(10)13(17)15-14/h7-8,11H,2-6,9,14H2,1H3,(H,15,17).
What are the key properties of 3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide?
3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 267.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63639193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).