3-(cyclohexylamino)-1,1-dimethylthiourea

C9H19N3S — CID 141426043

IUPAC3-(cyclohexylamino)-1,1-dimethylthiourea
SMILESCN(C)C(=S)NNC1CCCCC1
InChIInChI=1S/C9H19N3S/c1-12(2)9(13)11-10-8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyHFHLLMNMHDUSHO-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.26
Rot. Bonds2

About 3-(cyclohexylamino)-1,1-dimethylthiourea

3-(cyclohexylamino)-1,1-dimethylthiourea (PubChem CID 141426043) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 3-(cyclohexylamino)-1,1-dimethylthiourea.

Molecular Properties

Compound Name3-(cyclohexylamino)-1,1-dimethylthiourea
PubChem CID141426043
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name3-(cyclohexylamino)-1,1-dimethylthiourea
SMILESCN(C)C(=S)NNC1CCCCC1
InChIInChI=1S/C9H19N3S/c1-12(2)9(13)11-10-8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyHFHLLMNMHDUSHO-UHFFFAOYSA-N
XLogP1.26
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-1,1-dimethylthiourea?
The IUPAC name of 3-(cyclohexylamino)-1,1-dimethylthiourea (CID 141426043) is 3-(cyclohexylamino)-1,1-dimethylthiourea.
What is the SMILES notation for 3-(cyclohexylamino)-1,1-dimethylthiourea?
The canonical SMILES for 3-(cyclohexylamino)-1,1-dimethylthiourea is CN(C)C(=S)NNC1CCCCC1.
What is the InChIKey of 3-(cyclohexylamino)-1,1-dimethylthiourea?
The InChIKey is HFHLLMNMHDUSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-12(2)9(13)11-10-8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 3-(cyclohexylamino)-1,1-dimethylthiourea?
3-(cyclohexylamino)-1,1-dimethylthiourea has a molecular weight of 201.34 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-1,1-dimethylthiourea is sourced from PubChem (CID 141426043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).