1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea

C11H20N2O3S — CID 113257455

IUPAC1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
SMILESCC1(NC(=O)NC2CCCC2)CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-11(6-7-17(15,16)8-11)13-10(14)12-9-4-2-3-5-9/h9H,2-8H2,1H3,(H2,12,13,14)
InChIKeyVOYRIQXCSXTSRQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.81
Rot. Bonds2

About 1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea

1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea (PubChem CID 113257455) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
PubChem CID113257455
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
SMILESCC1(NC(=O)NC2CCCC2)CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-11(6-7-17(15,16)8-11)13-10(14)12-9-4-2-3-5-9/h9H,2-8H2,1H3,(H2,12,13,14)
InChIKeyVOYRIQXCSXTSRQ-UHFFFAOYSA-N
XLogP0.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(1-methylcyclohexyl)urea
CID 115631040
1-cyclopentyl-3-(1-methylcyclopropyl)urea
CID 115635212
N-cyclohexyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679840
N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679751
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]carbamodithioic acid
CID 7058895
1-(3-methyl-1,1-dioxothiolan-3-yl)-3-(2-methylpropyl)urea
CID 3436222
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide
CID 65464423
1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea
CID 109394253
3-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119684491
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-sulfanylpropanamide
CID 107027169
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea (CID 113257455) is 1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea is CC1(NC(=O)NC2CCCC2)CCS(=O)(=O)C1.
What is the InChIKey of 1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea?
The InChIKey is VOYRIQXCSXTSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-11(6-7-17(15,16)8-11)13-10(14)12-9-4-2-3-5-9/h9H,2-8H2,1H3,(H2,12,13,14).
What are the key properties of 1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea?
1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea has a molecular weight of 260.36 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea is sourced from PubChem (CID 113257455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).