1-amino-3-(2-methylcyclohexyl)thiourea

C8H17N3S — CID 3745753

IUPAC1-amino-3-(2-methylcyclohexyl)thiourea
SMILESCC1CCCCC1NC(=S)NN
InChIInChI=1S/C8H17N3S/c1-6-4-2-3-5-7(6)10-8(12)11-9/h6-7H,2-5,9H2,1H3,(H2,10,11,12)
InChIKeyFOHGZWSUKUQQKG-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.90
Rot. Bonds1

About 1-amino-3-(2-methylcyclohexyl)thiourea

1-amino-3-(2-methylcyclohexyl)thiourea (PubChem CID 3745753) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is 1-amino-3-(2-methylcyclohexyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2-methylcyclohexyl)thiourea
PubChem CID3745753
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name1-amino-3-(2-methylcyclohexyl)thiourea
SMILESCC1CCCCC1NC(=S)NN
InChIInChI=1S/C8H17N3S/c1-6-4-2-3-5-7(6)10-8(12)11-9/h6-7H,2-5,9H2,1H3,(H2,10,11,12)
InChIKeyFOHGZWSUKUQQKG-UHFFFAOYSA-N
XLogP0.90
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N1-bicyclo[2.2.1]hept-2-yl-2,2-dimethylhydrazine-1-carbothioamide
CID 2809358
3-Amino-1-(2,3-dimethylcyclohexyl)thiourea
CID 3407485
3-Amino-1-(2-methylheptyl)thiourea
CID 3487726
n-Cyclohexyl-2,2-dimethylhydrazine-1-carbothioamide
CID 2307646
(5S,5aS,9aS)-5-methyl-1,2,4,5,5a,6,7,8,9,9a-decahydrobenzo[f][1,2,4]triazepine-3-thione
CID 139193797
3-Amino-1-(6-methylheptan-2-yl)thiourea
CID 3844907
1-Cyclohexyl-3-(methylamino)thiourea
CID 12869138
1-Amino-3-(2-ethylhexyl)thiourea
CID 21557815
1-Amino-3-(cyclohexylmethyl)thiourea
CID 43371599
3-Amino-1-(cyclohexylmethyl)-1-methylthiourea
CID 58202194
1-Amino-3-heptan-2-ylthiourea
CID 61467381
1-Amino-3-(3,3,5-trimethylcyclohexyl)thiourea
CID 86221805

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methylcyclohexyl)thiourea?
The IUPAC name of 1-amino-3-(2-methylcyclohexyl)thiourea (CID 3745753) is 1-amino-3-(2-methylcyclohexyl)thiourea.
What is the SMILES notation for 1-amino-3-(2-methylcyclohexyl)thiourea?
The canonical SMILES for 1-amino-3-(2-methylcyclohexyl)thiourea is CC1CCCCC1NC(=S)NN.
What is the InChIKey of 1-amino-3-(2-methylcyclohexyl)thiourea?
The InChIKey is FOHGZWSUKUQQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-6-4-2-3-5-7(6)10-8(12)11-9/h6-7H,2-5,9H2,1H3,(H2,10,11,12).
What are the key properties of 1-amino-3-(2-methylcyclohexyl)thiourea?
1-amino-3-(2-methylcyclohexyl)thiourea has a molecular weight of 187.31 g/mol, XLogP of 0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methylcyclohexyl)thiourea is sourced from PubChem (CID 3745753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).