3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea

C10H18N2OS — CID 116509678

IUPAC3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea
SMILESCC1OCCC1N(C)C(=S)NC1CC1
InChIInChI=1S/C10H18N2OS/c1-7-9(5-6-13-7)12(2)10(14)11-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,11,14)
InChIKeyQTSWESZVQFPMHM-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.13
Rot. Bonds2

About 3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea

3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea (PubChem CID 116509678) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea
PubChem CID116509678
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea
SMILESCC1OCCC1N(C)C(=S)NC1CC1
InChIInChI=1S/C10H18N2OS/c1-7-9(5-6-13-7)12(2)10(14)11-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,11,14)
InChIKeyQTSWESZVQFPMHM-UHFFFAOYSA-N
XLogP1.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea?
The IUPAC name of 3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea (CID 116509678) is 3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea.
What is the SMILES notation for 3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea?
The canonical SMILES for 3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea is CC1OCCC1N(C)C(=S)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea?
The InChIKey is QTSWESZVQFPMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7-9(5-6-13-7)12(2)10(14)11-8-3-4-8/h7-9H,3-6H2,1-2H3,(H,11,14).
What are the key properties of 3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea?
3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea has a molecular weight of 214.33 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)thiourea is sourced from PubChem (CID 116509678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).