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

C9H18N2S2 — CID 115760787

IUPAC1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea
SMILESCSCCNC(=S)NC1CCCC1
InChIInChI=1S/C9H18N2S2/c1-13-7-6-10-9(12)11-8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyPDRIEQZGPNUWCL-UHFFFAOYSA-N
MW218.39 g/mol
LogP1.76
Rot. Bonds4

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

1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea (PubChem CID 115760787) has the molecular formula C9H18N2S2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea
PubChem CID115760787
Molecular FormulaC9H18N2S2
Molecular Weight218.39 g/mol
Exact Mass218.09
IUPAC Name1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea
SMILESCSCCNC(=S)NC1CCCC1
InChIInChI=1S/C9H18N2S2/c1-13-7-6-10-9(12)11-8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyPDRIEQZGPNUWCL-UHFFFAOYSA-N
XLogP1.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 51.76
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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Related Compounds

1-cyclopentyl-3-[2-(trifluoromethylsulfanyl)ethyl]thiourea
CID 106427137
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-heptylthiourea
CID 19650876
1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 110958480
1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea
CID 116510153
2-(cyclohexylcarbamothioylamino)ethyl-diethylazanium
CID 2350192
1-cyclohexyl-3-[(1-methylsulfanylcyclopropyl)methyl]thiourea
CID 107265764
1-(3,3-dimethylcyclopentyl)-3-(3-methylsulfanylpropyl)thiourea
CID 115880265
1-cyclobutyl-3-(3-methoxypropyl)thiourea
CID 115617445
1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea
CID 116510241

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea (CID 115760787) is 1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea is CSCCNC(=S)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea?
The InChIKey is PDRIEQZGPNUWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S2/c1-13-7-6-10-9(12)11-8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,10,11,12).
What are the key properties of 1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea?
1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea has a molecular weight of 218.39 g/mol, XLogP of 1.76, 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-methylsulfanylethyl)thiourea is sourced from PubChem (CID 115760787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).