1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea

C9H18N2OS2 — CID 116510153

IUPAC1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea
SMILESCS(=O)CCNC(=S)NC1CCCC1
InChIInChI=1S/C9H18N2OS2/c1-14(12)7-6-10-9(13)11-8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,10,11,13)
InChIKeyWRASXTDZUSBMEG-UHFFFAOYSA-N
MW234.39 g/mol
LogP0.77
Rot. Bonds4

About 1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea

1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea (PubChem CID 116510153) has the molecular formula C9H18N2OS2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea
PubChem CID116510153
Molecular FormulaC9H18N2OS2
Molecular Weight234.39 g/mol
Exact Mass234.09
IUPAC Name1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea
SMILESCS(=O)CCNC(=S)NC1CCCC1
InChIInChI=1S/C9H18N2OS2/c1-14(12)7-6-10-9(13)11-8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,10,11,13)
InChIKeyWRASXTDZUSBMEG-UHFFFAOYSA-N
XLogP0.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea
CID 116510241
1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea
CID 116510280
1-cyclooctyl-3-propylthiourea
CID 19650537
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523
1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea
CID 115760787
1-cyclopentyl-3-heptylthiourea
CID 19650876
1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea
CID 116510187
2-(cyclohexylcarbamothioylamino)ethyl-diethylazanium
CID 2350192
1-cyclohexyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea
CID 9097915
2-(cyclopentylcarbamothioylamino)-N-methylacetamide
CID 116507386
4-(cyclohexylcarbamothioylamino)butanoate
CID 6999010

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea (CID 116510153) is 1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea is CS(=O)CCNC(=S)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea?
The InChIKey is WRASXTDZUSBMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS2/c1-14(12)7-6-10-9(13)11-8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,10,11,13).
What are the key properties of 1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea?
1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea has a molecular weight of 234.39 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea is sourced from PubChem (CID 116510153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).