1-amino-3-cyclopentylthiourea

C6H13N3S — CID 2037202

IUPAC1-amino-3-cyclopentylthiourea
SMILESNNC(=S)NC1CCCC1
InChIInChI=1S/C6H13N3S/c7-9-6(10)8-5-3-1-2-4-5/h5H,1-4,7H2,(H2,8,9,10)
InChIKeyZSVWXYUYZJUUCU-UHFFFAOYSA-N
MW159.26 g/mol
LogP0.27
Rot. Bonds1

About 1-amino-3-cyclopentylthiourea

1-amino-3-cyclopentylthiourea (PubChem CID 2037202) has the molecular formula C6H13N3S and a molecular weight of 159.26 g/mol. Its IUPAC name is 1-amino-3-cyclopentylthiourea.

Molecular Properties

Compound Name1-amino-3-cyclopentylthiourea
PubChem CID2037202
Molecular FormulaC6H13N3S
Molecular Weight159.26 g/mol
Exact Mass159.08
IUPAC Name1-amino-3-cyclopentylthiourea
SMILESNNC(=S)NC1CCCC1
InChIInChI=1S/C6H13N3S/c7-9-6(10)8-5-3-1-2-4-5/h5H,1-4,7H2,(H2,8,9,10)
InChIKeyZSVWXYUYZJUUCU-UHFFFAOYSA-N
XLogP0.27
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.26
LogP ≤ 50.27
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-cyclopentylthiourea?
The IUPAC name of 1-amino-3-cyclopentylthiourea (CID 2037202) is 1-amino-3-cyclopentylthiourea.
What is the SMILES notation for 1-amino-3-cyclopentylthiourea?
The canonical SMILES for 1-amino-3-cyclopentylthiourea is NNC(=S)NC1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentylthiourea?
The InChIKey is ZSVWXYUYZJUUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3S/c7-9-6(10)8-5-3-1-2-4-5/h5H,1-4,7H2,(H2,8,9,10).
What are the key properties of 1-amino-3-cyclopentylthiourea?
1-amino-3-cyclopentylthiourea has a molecular weight of 159.26 g/mol, XLogP of 0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentylthiourea is sourced from PubChem (CID 2037202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).