1-amino-3-cyclopentylidenethiourea

C6H11N3S — CID 91622598

IUPAC1-amino-3-cyclopentylidenethiourea
SMILESNNC(=S)N=C1CCCC1
InChIInChI=1S/C6H11N3S/c7-9-6(10)8-5-3-1-2-4-5/h1-4,7H2,(H,9,10)
InChIKeyQEKNREZNSNYGND-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.75
Rot. Bonds

About 1-amino-3-cyclopentylidenethiourea

1-amino-3-cyclopentylidenethiourea (PubChem CID 91622598) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 1-amino-3-cyclopentylidenethiourea.

Molecular Properties

Compound Name1-amino-3-cyclopentylidenethiourea
PubChem CID91622598
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name1-amino-3-cyclopentylidenethiourea
SMILESNNC(=S)N=C1CCCC1
InChIInChI=1S/C6H11N3S/c7-9-6(10)8-5-3-1-2-4-5/h1-4,7H2,(H,9,10)
InChIKeyQEKNREZNSNYGND-UHFFFAOYSA-N
XLogP0.75
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-3-cyclopentylidenethiourea?
The IUPAC name of 1-amino-3-cyclopentylidenethiourea (CID 91622598) is 1-amino-3-cyclopentylidenethiourea.
What is the SMILES notation for 1-amino-3-cyclopentylidenethiourea?
The canonical SMILES for 1-amino-3-cyclopentylidenethiourea is NNC(=S)N=C1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentylidenethiourea?
The InChIKey is QEKNREZNSNYGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c7-9-6(10)8-5-3-1-2-4-5/h1-4,7H2,(H,9,10).
What are the key properties of 1-amino-3-cyclopentylidenethiourea?
1-amino-3-cyclopentylidenethiourea has a molecular weight of 157.24 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentylidenethiourea is sourced from PubChem (CID 91622598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).