1-cyclohexyl-3-(methylamino)thiourea

C8H17N3S — CID 12869138

IUPAC1-cyclohexyl-3-(methylamino)thiourea
SMILESCNNC(=S)NC1CCCCC1
InChIInChI=1S/C8H17N3S/c1-9-11-8(12)10-7-5-3-2-4-6-7/h7,9H,2-6H2,1H3,(H2,10,11,12)
InChIKeyQHTONUCJNYZHBO-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.92
Rot. Bonds2

About 1-cyclohexyl-3-(methylamino)thiourea

1-cyclohexyl-3-(methylamino)thiourea (PubChem CID 12869138) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-(methylamino)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(methylamino)thiourea
PubChem CID12869138
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name1-cyclohexyl-3-(methylamino)thiourea
SMILESCNNC(=S)NC1CCCCC1
InChIInChI=1S/C8H17N3S/c1-9-11-8(12)10-7-5-3-2-4-6-7/h7,9H,2-6H2,1H3,(H2,10,11,12)
InChIKeyQHTONUCJNYZHBO-UHFFFAOYSA-N
XLogP0.92
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Cyclohexylthiosemicarbazide
CID 722813
N1-cyclododecylhydrazine-1-carbothioamide
CID 2730977
N-(2-Methylcyclohexyl)hydrazinecarbothioamide
CID 3745753
4-Octyl-3-thiosemicarbazide
CID 2760251
2-Cyclohexyl-5,5-diethyl-1,2,4-triazolidine-3-thione
CID 134156902
4-Hexyl-3-thiosemicarbazide
CID 2759283
3-Amino-1-cyclohexyl-1-methylthiourea
CID 19847526
1-(Azepan-1-yl)-3-cyclohexylthiourea
CID 5156413
N-cyclohexyl-N'-(2,6-dimethyl-1-piperidinyl)thiourea
CID 2919195
N,N'-dicyclohexylhydrazine-1,2-dicarbothioamide
CID 970284
n-Cyclohexyl-2,2-dimethylhydrazine-1-carbothioamide
CID 2307646
4-Cyclohexyl-1-(propan-2-ylidene)thiosemicarbazide
CID 139086947

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(methylamino)thiourea?
The IUPAC name of 1-cyclohexyl-3-(methylamino)thiourea (CID 12869138) is 1-cyclohexyl-3-(methylamino)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(methylamino)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(methylamino)thiourea is CNNC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(methylamino)thiourea?
The InChIKey is QHTONUCJNYZHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-9-11-8(12)10-7-5-3-2-4-6-7/h7,9H,2-6H2,1H3,(H2,10,11,12).
What are the key properties of 1-cyclohexyl-3-(methylamino)thiourea?
1-cyclohexyl-3-(methylamino)thiourea has a molecular weight of 187.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(methylamino)thiourea is sourced from PubChem (CID 12869138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).