3-amino-1-cyclopentyl-1-methylthiourea

C7H15N3S — CID 19847577

IUPAC3-amino-1-cyclopentyl-1-methylthiourea
SMILESCN(C(=S)NN)C1CCCC1
InChIInChI=1S/C7H15N3S/c1-10(7(11)9-8)6-4-2-3-5-6/h6H,2-5,8H2,1H3,(H,9,11)
InChIKeyJVXOVTJEKCZFGC-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.61
Rot. Bonds1

About 3-amino-1-cyclopentyl-1-methylthiourea

3-amino-1-cyclopentyl-1-methylthiourea (PubChem CID 19847577) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is 3-amino-1-cyclopentyl-1-methylthiourea.

Molecular Properties

Compound Name3-amino-1-cyclopentyl-1-methylthiourea
PubChem CID19847577
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC Name3-amino-1-cyclopentyl-1-methylthiourea
SMILESCN(C(=S)NN)C1CCCC1
InChIInChI=1S/C7H15N3S/c1-10(7(11)9-8)6-4-2-3-5-6/h6H,2-5,8H2,1H3,(H,9,11)
InChIKeyJVXOVTJEKCZFGC-UHFFFAOYSA-N
XLogP0.61
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.61
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopentyl-1-methylthiourea?
The IUPAC name of 3-amino-1-cyclopentyl-1-methylthiourea (CID 19847577) is 3-amino-1-cyclopentyl-1-methylthiourea.
What is the SMILES notation for 3-amino-1-cyclopentyl-1-methylthiourea?
The canonical SMILES for 3-amino-1-cyclopentyl-1-methylthiourea is CN(C(=S)NN)C1CCCC1.
What is the InChIKey of 3-amino-1-cyclopentyl-1-methylthiourea?
The InChIKey is JVXOVTJEKCZFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c1-10(7(11)9-8)6-4-2-3-5-6/h6H,2-5,8H2,1H3,(H,9,11).
What are the key properties of 3-amino-1-cyclopentyl-1-methylthiourea?
3-amino-1-cyclopentyl-1-methylthiourea has a molecular weight of 173.28 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopentyl-1-methylthiourea is sourced from PubChem (CID 19847577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).