1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea

C11H22N2OS2 — CID 116510241

IUPAC1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea
SMILESCC(CCNC(=S)NC1CCCC1)S(C)=O
InChIInChI=1S/C11H22N2OS2/c1-9(16(2)14)7-8-12-11(15)13-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyKELTYSBMXJOKDR-UHFFFAOYSA-N
MW262.44 g/mol
LogP1.55
Rot. Bonds5

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

1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea (PubChem CID 116510241) has the molecular formula C11H22N2OS2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea
PubChem CID116510241
Molecular FormulaC11H22N2OS2
Molecular Weight262.44 g/mol
Exact Mass262.12
IUPAC Name1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea
SMILESCC(CCNC(=S)NC1CCCC1)S(C)=O
InChIInChI=1S/C11H22N2OS2/c1-9(16(2)14)7-8-12-11(15)13-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyKELTYSBMXJOKDR-UHFFFAOYSA-N
XLogP1.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 51.55
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-(2-methylsulfinylethyl)thiourea
CID 116510153
1-(3-methylsulfinylbutyl)-3-propylthiourea
CID 116510232
1-cyclohexyl-3-(3-methylbutylcarbamothioylamino)thiourea
CID 8789664
1-cyclooctyl-3-propylthiourea
CID 19650537
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea
CID 116510187
1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea
CID 892266
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523
1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea
CID 116508951
1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea
CID 115760787
(2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide
CID 103813133
1-cyclopentyl-3-heptylthiourea
CID 19650876

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea (CID 116510241) is 1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea is CC(CCNC(=S)NC1CCCC1)S(C)=O.
What is the InChIKey of 1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea?
The InChIKey is KELTYSBMXJOKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS2/c1-9(16(2)14)7-8-12-11(15)13-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea?
1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea has a molecular weight of 262.44 g/mol, XLogP of 1.55, 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-methylsulfinylbutyl)thiourea is sourced from PubChem (CID 116510241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).