1-amino-3-(cyclohexylmethyl)thiourea

C8H17N3S — CID 43371599

IUPAC1-amino-3-(cyclohexylmethyl)thiourea
SMILESNNC(=S)NCC1CCCCC1
InChIInChI=1S/C8H17N3S/c9-11-8(12)10-6-7-4-2-1-3-5-7/h7H,1-6,9H2,(H2,10,11,12)
InChIKeyRUYFNBXVIZGYPK-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.90
Rot. Bonds2

About 1-amino-3-(cyclohexylmethyl)thiourea

1-amino-3-(cyclohexylmethyl)thiourea (PubChem CID 43371599) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is 1-amino-3-(cyclohexylmethyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(cyclohexylmethyl)thiourea
PubChem CID43371599
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name1-amino-3-(cyclohexylmethyl)thiourea
SMILESNNC(=S)NCC1CCCCC1
InChIInChI=1S/C8H17N3S/c9-11-8(12)10-6-7-4-2-1-3-5-7/h7H,1-6,9H2,(H2,10,11,12)
InChIKeyRUYFNBXVIZGYPK-UHFFFAOYSA-N
XLogP0.90
TPSA50.08 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 ≤ 50.90
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(cyclohexylmethyl)thiourea?
The IUPAC name of 1-amino-3-(cyclohexylmethyl)thiourea (CID 43371599) is 1-amino-3-(cyclohexylmethyl)thiourea.
What is the SMILES notation for 1-amino-3-(cyclohexylmethyl)thiourea?
The canonical SMILES for 1-amino-3-(cyclohexylmethyl)thiourea is NNC(=S)NCC1CCCCC1.
What is the InChIKey of 1-amino-3-(cyclohexylmethyl)thiourea?
The InChIKey is RUYFNBXVIZGYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c9-11-8(12)10-6-7-4-2-1-3-5-7/h7H,1-6,9H2,(H2,10,11,12).
What are the key properties of 1-amino-3-(cyclohexylmethyl)thiourea?
1-amino-3-(cyclohexylmethyl)thiourea has a molecular weight of 187.31 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(cyclohexylmethyl)thiourea is sourced from PubChem (CID 43371599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).