1-cyclohexyl-3-(propan-2-ylideneamino)thiourea

C10H19N3S — CID 139086947

IUPAC1-cyclohexyl-3-(propan-2-ylideneamino)thiourea
SMILESCC(C)=NNC(=S)NC1CCCCC1
InChIInChI=1S/C10H19N3S/c1-8(2)12-13-10(14)11-9-6-4-3-5-7-9/h9H,3-7H2,1-2H3,(H2,11,13,14)
InChIKeyQZSCSENJJDXHBM-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.18
Rot. Bonds2

About 1-cyclohexyl-3-(propan-2-ylideneamino)thiourea

1-cyclohexyl-3-(propan-2-ylideneamino)thiourea (PubChem CID 139086947) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(propan-2-ylideneamino)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(propan-2-ylideneamino)thiourea
PubChem CID139086947
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-cyclohexyl-3-(propan-2-ylideneamino)thiourea
SMILESCC(C)=NNC(=S)NC1CCCCC1
InChIInChI=1S/C10H19N3S/c1-8(2)12-13-10(14)11-9-6-4-3-5-7-9/h9H,3-7H2,1-2H3,(H2,11,13,14)
InChIKeyQZSCSENJJDXHBM-UHFFFAOYSA-N
XLogP2.18
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(propan-2-ylideneamino)thiourea?
The IUPAC name of 1-cyclohexyl-3-(propan-2-ylideneamino)thiourea (CID 139086947) is 1-cyclohexyl-3-(propan-2-ylideneamino)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(propan-2-ylideneamino)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(propan-2-ylideneamino)thiourea is CC(C)=NNC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(propan-2-ylideneamino)thiourea?
The InChIKey is QZSCSENJJDXHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(2)12-13-10(14)11-9-6-4-3-5-7-9/h9H,3-7H2,1-2H3,(H2,11,13,14).
What are the key properties of 1-cyclohexyl-3-(propan-2-ylideneamino)thiourea?
1-cyclohexyl-3-(propan-2-ylideneamino)thiourea has a molecular weight of 213.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(propan-2-ylideneamino)thiourea is sourced from PubChem (CID 139086947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).