N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide

C11H19NO2S — CID 103688066

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide
SMILESCSCC(C)(O)CNC(=O)C1CC=CC1
InChIInChI=1S/C11H19NO2S/c1-11(14,8-15-2)7-12-10(13)9-5-3-4-6-9/h3-4,9,14H,5-8H2,1-2H3,(H,12,13)
InChIKeyMWQYQUDZVXMHSE-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.18
Rot. Bonds5

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide (PubChem CID 103688066) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide
PubChem CID103688066
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide
SMILESCSCC(C)(O)CNC(=O)C1CC=CC1
InChIInChI=1S/C11H19NO2S/c1-11(14,8-15-2)7-12-10(13)9-5-3-4-6-9/h3-4,9,14H,5-8H2,1-2H3,(H,12,13)
InChIKeyMWQYQUDZVXMHSE-UHFFFAOYSA-N
XLogP1.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide (CID 103688066) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide is CSCC(C)(O)CNC(=O)C1CC=CC1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is MWQYQUDZVXMHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-11(14,8-15-2)7-12-10(13)9-5-3-4-6-9/h3-4,9,14H,5-8H2,1-2H3,(H,12,13).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 229.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 103688066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).