1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea

C8H16N2OS2 — CID 116510280

IUPAC1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea
SMILESCCS(=O)CCNC(=S)NC1CC1
InChIInChI=1S/C8H16N2OS2/c1-2-13(11)6-5-9-8(12)10-7-3-4-7/h7H,2-6H2,1H3,(H2,9,10,12)
InChIKeyXAGJAMABJQTZOU-UHFFFAOYSA-N
MW220.36 g/mol
LogP0.38
Rot. Bonds5

About 1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea

1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea (PubChem CID 116510280) has the molecular formula C8H16N2OS2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea
PubChem CID116510280
Molecular FormulaC8H16N2OS2
Molecular Weight220.36 g/mol
Exact Mass220.07
IUPAC Name1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea
SMILESCCS(=O)CCNC(=S)NC1CC1
InChIInChI=1S/C8H16N2OS2/c1-2-13(11)6-5-9-8(12)10-7-3-4-7/h7H,2-6H2,1H3,(H2,9,10,12)
InChIKeyXAGJAMABJQTZOU-UHFFFAOYSA-N
XLogP0.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 50.38
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-cyclopropyl-3-pentylthiourea
CID 19650722
1-cyclooctyl-3-propylthiourea
CID 19650537
1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea
CID 116510241
N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide
CID 113494724
1-propyl-3-(1-propylsulfonylpiperidin-4-yl)thiourea
CID 43077022
N-(2-ethylsulfinylethyl)cycloheptanamine
CID 115627115
1-cyclopentyl-3-heptylthiourea
CID 19650876
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
1-(2-ethylsulfinylethyl)-3-methylurea
CID 115645018
2-(cyclopropylcarbamothioylamino)-N,N-diethylacetamide
CID 115593532
2-(cyclopropylcarbamothioylamino)-N-methylacetamide
CID 115571221

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea (CID 116510280) is 1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea is CCS(=O)CCNC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea?
The InChIKey is XAGJAMABJQTZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS2/c1-2-13(11)6-5-9-8(12)10-7-3-4-7/h7H,2-6H2,1H3,(H2,9,10,12).
What are the key properties of 1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea?
1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea has a molecular weight of 220.36 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-ethylsulfinylethyl)thiourea is sourced from PubChem (CID 116510280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).