[(4-cyclohexylcyclohexylidene)amino]thiourea

C13H23N3S — CID 3898767

IUPAC[(4-cyclohexylcyclohexylidene)amino]thiourea
SMILESNC(=S)NN=C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C13H23N3S/c14-13(17)16-15-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-11H,1-9H2,(H3,14,16,17)/b15-12-
InChIKeySYWWZMUAOSGDQE-QINSGFPZSA-N
MW253.41 g/mol
LogP2.95
Rot. Bonds2

About [(4-cyclohexylcyclohexylidene)amino]thiourea

[(4-cyclohexylcyclohexylidene)amino]thiourea (PubChem CID 3898767) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is [(4-cyclohexylcyclohexylidene)amino]thiourea.

Molecular Properties

Compound Name[(4-cyclohexylcyclohexylidene)amino]thiourea
PubChem CID3898767
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name[(4-cyclohexylcyclohexylidene)amino]thiourea
SMILESNC(=S)NN=C1CCC(C2CCCCC2)CC1
InChIInChI=1S/C13H23N3S/c14-13(17)16-15-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-11H,1-9H2,(H3,14,16,17)/b15-12-
InChIKeySYWWZMUAOSGDQE-QINSGFPZSA-N
XLogP2.95
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.95
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'}

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Related Compounds

(2E)-2-[1-(1-methylcyclohexyl)ethylidene]hydrazinecarbothioamide
CID 9616533
(2-Adamantylideneamino)thiourea
CID 700360
2-(1-Cyclododecylethylidene)Hydrazinecarbothioamide
CID 9609685
(Spiro[5.5]undecan-3-ylideneamino)thiourea
CID 3261406
4-Cyclohexyl-4-methyl-2-pentanone thiosemicarbazone
CID 5941975
3-Methylcyclohexanone thiosemicarbazone
CID 74405055
[(E)-[(2S,5R)-2-isopropyl-5-methyl-cyclohexylidene]amino]thiourea
CID 86572564
2-(2-Methylcyclohexylidene)hydrazine-1-carbothioamide
CID 71444739
[(Z)-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ylidene]amino]thiourea
CID 9572066
Hydrazinecarbothioamide, 2-(2-methylcyclohexylidene)-
CID 9603611
[(E)-[(2S)-2-methylcyclohexylidene]amino]thiourea
CID 133639257
(E)-2-(2-Methylcyclohexylidene)hydrazinecarbothioamide
CID 139082344

Frequently Asked Questions

What is the IUPAC name of [(4-cyclohexylcyclohexylidene)amino]thiourea?
The IUPAC name of [(4-cyclohexylcyclohexylidene)amino]thiourea (CID 3898767) is [(4-cyclohexylcyclohexylidene)amino]thiourea.
What is the SMILES notation for [(4-cyclohexylcyclohexylidene)amino]thiourea?
The canonical SMILES for [(4-cyclohexylcyclohexylidene)amino]thiourea is NC(=S)NN=C1CCC(C2CCCCC2)CC1.
What is the InChIKey of [(4-cyclohexylcyclohexylidene)amino]thiourea?
The InChIKey is SYWWZMUAOSGDQE-QINSGFPZSA-N. The full InChI is InChI=1S/C13H23N3S/c14-13(17)16-15-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-11H,1-9H2,(H3,14,16,17)/b15-12-.
What are the key properties of [(4-cyclohexylcyclohexylidene)amino]thiourea?
[(4-cyclohexylcyclohexylidene)amino]thiourea has a molecular weight of 253.41 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-cyclohexylcyclohexylidene)amino]thiourea is sourced from PubChem (CID 3898767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).