1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea

C10H20N2S2 — CID 43384769

IUPAC1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea
SMILESCSCCCNC(=S)NC1CCCC1
InChIInChI=1S/C10H20N2S2/c1-14-8-4-7-11-10(13)12-9-5-2-3-6-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyOVFQXSHJLHKCJW-UHFFFAOYSA-N
MW232.42 g/mol
LogP2.15
Rot. Bonds5

About 1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea

1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea (PubChem CID 43384769) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea
PubChem CID43384769
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC Name1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea
SMILESCSCCCNC(=S)NC1CCCC1
InChIInChI=1S/C10H20N2S2/c1-14-8-4-7-11-10(13)12-9-5-2-3-6-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyOVFQXSHJLHKCJW-UHFFFAOYSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea (CID 43384769) is 1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea is CSCCCNC(=S)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea?
The InChIKey is OVFQXSHJLHKCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c1-14-8-4-7-11-10(13)12-9-5-2-3-6-9/h9H,2-8H2,1H3,(H2,11,12,13).
What are the key properties of 1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea?
1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea has a molecular weight of 232.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-methylsulfanylpropyl)thiourea is sourced from PubChem (CID 43384769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).