2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol

C10H22N2S — CID 124634014

IUPAC2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol
SMILESC[C@@H]1CC[C@@H](C(C)(C)S)[C@H](NN)C1
InChIInChI=1S/C10H22N2S/c1-7-4-5-8(10(2,3)13)9(6-7)12-11/h7-9,12-13H,4-6,11H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyNDWXVBXUQDEDLN-IWSPIJDZSA-N
MW202.37 g/mol
LogP1.96
Rot. Bonds2

About 2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol

2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol (PubChem CID 124634014) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol.

Molecular Properties

Compound Name2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol
PubChem CID124634014
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol
SMILESC[C@@H]1CC[C@@H](C(C)(C)S)[C@H](NN)C1
InChIInChI=1S/C10H22N2S/c1-7-4-5-8(10(2,3)13)9(6-7)12-11/h7-9,12-13H,4-6,11H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyNDWXVBXUQDEDLN-IWSPIJDZSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol?
The IUPAC name of 2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol (CID 124634014) is 2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol.
What is the SMILES notation for 2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol?
The canonical SMILES for 2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol is C[C@@H]1CC[C@@H](C(C)(C)S)[C@H](NN)C1.
What is the InChIKey of 2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol?
The InChIKey is NDWXVBXUQDEDLN-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H22N2S/c1-7-4-5-8(10(2,3)13)9(6-7)12-11/h7-9,12-13H,4-6,11H2,1-3H3/t7-,8-,9-/m1/s1.
What are the key properties of 2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol?
2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol has a molecular weight of 202.37 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4R)-2-hydrazinyl-4-methylcyclohexyl]propane-2-thiol is sourced from PubChem (CID 124634014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).