1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea

C15H22N2O2S — CID 72860999

IUPAC1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea
SMILESCOCC1(NC(=O)Nc2cccc(SC)c2)CCCC1
InChIInChI=1S/C15H22N2O2S/c1-19-11-15(8-3-4-9-15)17-14(18)16-12-6-5-7-13(10-12)20-2/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,16,17,18)
InChIKeyFVKWWLAXWZCCEN-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.49
Rot. Bonds5

About 1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea

1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea (PubChem CID 72860999) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea
PubChem CID72860999
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea
SMILESCOCC1(NC(=O)Nc2cccc(SC)c2)CCCC1
InChIInChI=1S/C15H22N2O2S/c1-19-11-15(8-3-4-9-15)17-14(18)16-12-6-5-7-13(10-12)20-2/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,16,17,18)
InChIKeyFVKWWLAXWZCCEN-UHFFFAOYSA-N
XLogP3.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 62520319
1-[1-(hydroxymethyl)cyclohexyl]-3-(3-methoxyphenyl)urea
CID 62521313
1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide
CID 7734007
1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087564
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 121137400
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide
CID 81167247
2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide
CID 43145996
2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate
CID 146357329
2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid
CID 79842234
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea (CID 72860999) is 1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea is COCC1(NC(=O)Nc2cccc(SC)c2)CCCC1.
What is the InChIKey of 1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea?
The InChIKey is FVKWWLAXWZCCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-19-11-15(8-3-4-9-15)17-14(18)16-12-6-5-7-13(10-12)20-2/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea?
1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea has a molecular weight of 294.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 72860999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).