1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide

C13H17NO2S — CID 115183938

IUPAC1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
SMILESCSc1ccc(NC(=O)C2(CO)CCC2)cc1
InChIInChI=1S/C13H17NO2S/c1-17-11-5-3-10(4-6-11)14-12(16)13(9-15)7-2-8-13/h3-6,15H,2,7-9H2,1H3,(H,14,16)
InChIKeyOHPANMQJDHAIHU-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.51
Rot. Bonds4

About 1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide

1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide (PubChem CID 115183938) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
PubChem CID115183938
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
SMILESCSc1ccc(NC(=O)C2(CO)CCC2)cc1
InChIInChI=1S/C13H17NO2S/c1-17-11-5-3-10(4-6-11)14-12(16)13(9-15)7-2-8-13/h3-6,15H,2,7-9H2,1H3,(H,14,16)
InChIKeyOHPANMQJDHAIHU-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694256
1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184071
1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 115183955
1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 65465467
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 55415843
methyl 1-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxylate
CID 116929728
3-(4-methylsulfanylanilino)-3-oxopropanoic acid
CID 62230727
1-(N'-hydroxycarbamimidoyl)-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 76919403
1-ethyl-N-(4-methylsulfanylphenyl)-4-phenylazepane-4-carboxamide
CID 53165493
1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115447604
N-(4-methylsulfanylphenyl)cyclopentanecarboxamide
CID 9153516
4-hydroxy-N-(4-methylsulfanylphenyl)butanamide
CID 79204834

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide (CID 115183938) is 1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide is CSc1ccc(NC(=O)C2(CO)CCC2)cc1.
What is the InChIKey of 1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide?
The InChIKey is OHPANMQJDHAIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-17-11-5-3-10(4-6-11)14-12(16)13(9-15)7-2-8-13/h3-6,15H,2,7-9H2,1H3,(H,14,16).
What are the key properties of 1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide?
1-(hydroxymethyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 2.51, 4 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)cyclobutane-1-carboxamide is sourced from PubChem (CID 115183938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).