1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea

C10H19N3S — CID 9071351

IUPAC1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea
SMILESCNC(=S)NN=C1[C@H](C)CCC[C@H]1C
InChIInChI=1S/C10H19N3S/c1-7-5-4-6-8(2)9(7)12-13-10(14)11-3/h7-8H,4-6H2,1-3H3,(H2,11,13,14)/t7-,8-/m1/s1
InChIKeyLUKPIOGBIUBBIX-HTQZYQBOSA-N
MW213.35 g/mol
LogP1.89
Rot. Bonds1

About 1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea

1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea (PubChem CID 9071351) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea.

Molecular Properties

Compound Name1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea
PubChem CID9071351
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea
SMILESCNC(=S)NN=C1[C@H](C)CCC[C@H]1C
InChIInChI=1S/C10H19N3S/c1-7-5-4-6-8(2)9(7)12-13-10(14)11-3/h7-8H,4-6H2,1-3H3,(H2,11,13,14)/t7-,8-/m1/s1
InChIKeyLUKPIOGBIUBBIX-HTQZYQBOSA-N
XLogP1.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea 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 1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea?
The IUPAC name of 1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea (CID 9071351) is 1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea.
What is the SMILES notation for 1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea?
The canonical SMILES for 1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea is CNC(=S)NN=C1[C@H](C)CCC[C@H]1C.
What is the InChIKey of 1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea?
The InChIKey is LUKPIOGBIUBBIX-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H19N3S/c1-7-5-4-6-8(2)9(7)12-13-10(14)11-3/h7-8H,4-6H2,1-3H3,(H2,11,13,14)/t7-,8-/m1/s1.
What are the key properties of 1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea?
1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea has a molecular weight of 213.35 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-methylthiourea is sourced from PubChem (CID 9071351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).