1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide

C14H19NO2S — CID 115184071

IUPAC1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCSc1ccc(CNC(=O)C2(CO)CCC2)cc1
InChIInChI=1S/C14H19NO2S/c1-18-12-5-3-11(4-6-12)9-15-13(17)14(10-16)7-2-8-14/h3-6,16H,2,7-10H2,1H3,(H,15,17)
InChIKeyOUJKYAXFJWEOFT-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.19
Rot. Bonds5

About 1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide

1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 115184071) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
PubChem CID115184071
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCSc1ccc(CNC(=O)C2(CO)CCC2)cc1
InChIInChI=1S/C14H19NO2S/c1-18-12-5-3-11(4-6-12)9-15-13(17)14(10-16)7-2-8-14/h3-6,16H,2,7-10H2,1H3,(H,15,17)
InChIKeyOUJKYAXFJWEOFT-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184056
1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184042
1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 115183938
N-[(3-bromophenyl)methyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide
CID 115184081
methyl 1-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxylate
CID 116929728
N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide
CID 115166260
N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
CID 46328262
1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide
CID 115182209
methyl 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247572
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
CID 115184040

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide (CID 115184071) is 1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide is CSc1ccc(CNC(=O)C2(CO)CCC2)cc1.
What is the InChIKey of 1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is OUJKYAXFJWEOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-18-12-5-3-11(4-6-12)9-15-13(17)14(10-16)7-2-8-14/h3-6,16H,2,7-10H2,1H3,(H,15,17).
What are the key properties of 1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide?
1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115184071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).