1-amino-1-cyclopentylthiourea

C6H13N3S — CID 20849965

IUPAC1-amino-1-cyclopentylthiourea
SMILESNC(=S)N(N)C1CCCC1
InChIInChI=1S/C6H13N3S/c7-6(10)9(8)5-3-1-2-4-5/h5H,1-4,8H2,(H2,7,10)
InChIKeyQMINZBWIMPLBNH-UHFFFAOYSA-N
MW159.26 g/mol
LogP0.35
Rot. Bonds1

About 1-amino-1-cyclopentylthiourea

1-amino-1-cyclopentylthiourea (PubChem CID 20849965) has the molecular formula C6H13N3S and a molecular weight of 159.26 g/mol. Its IUPAC name is 1-amino-1-cyclopentylthiourea.

Molecular Properties

Compound Name1-amino-1-cyclopentylthiourea
PubChem CID20849965
Molecular FormulaC6H13N3S
Molecular Weight159.26 g/mol
Exact Mass159.08
IUPAC Name1-amino-1-cyclopentylthiourea
SMILESNC(=S)N(N)C1CCCC1
InChIInChI=1S/C6H13N3S/c7-6(10)9(8)5-3-1-2-4-5/h5H,1-4,8H2,(H2,7,10)
InChIKeyQMINZBWIMPLBNH-UHFFFAOYSA-N
XLogP0.35
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
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

1-Cyclopentyl-1H-tetrazole-5-thiol
CID 729454
3-Amino-1-cyclopentylthiourea
CID 2037202
N-Cyclopentyl-N-methylhydrazinecarbothioamide
CID 19847577
1-Amino-1-pentylthiourea
CID 20849971
1-Amino-1-cyclohexylthiourea
CID 22299106
1-Amino-1-pentan-2-ylthiourea
CID 174854687

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-cyclopentylthiourea?
The IUPAC name of 1-amino-1-cyclopentylthiourea (CID 20849965) is 1-amino-1-cyclopentylthiourea.
What is the SMILES notation for 1-amino-1-cyclopentylthiourea?
The canonical SMILES for 1-amino-1-cyclopentylthiourea is NC(=S)N(N)C1CCCC1.
What is the InChIKey of 1-amino-1-cyclopentylthiourea?
The InChIKey is QMINZBWIMPLBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3S/c7-6(10)9(8)5-3-1-2-4-5/h5H,1-4,8H2,(H2,7,10).
What are the key properties of 1-amino-1-cyclopentylthiourea?
1-amino-1-cyclopentylthiourea has a molecular weight of 159.26 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-cyclopentylthiourea is sourced from PubChem (CID 20849965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).