(Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide

C11H21NO2S — CID 103767839

IUPAC(Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCCSCCCO
InChIInChI=1S/C11H21NO2S/c1-3-5-10(2)11(14)12-6-9-15-8-4-7-13/h5,13H,3-4,6-9H2,1-2H3,(H,12,14)/b10-5-
InChIKeyOVJBGTMTUZFNFT-YHYXMXQVSA-N
MW231.36 g/mol
LogP1.57
Rot. Bonds8

About (Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide

(Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide (PubChem CID 103767839) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is (Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide
PubChem CID103767839
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name(Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCCSCCCO
InChIInChI=1S/C11H21NO2S/c1-3-5-10(2)11(14)12-6-9-15-8-4-7-13/h5,13H,3-4,6-9H2,1-2H3,(H,12,14)/b10-5-
InChIKeyOVJBGTMTUZFNFT-YHYXMXQVSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide (CID 103767839) is (Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NCCSCCCO.
What is the InChIKey of (Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide?
The InChIKey is OVJBGTMTUZFNFT-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-3-5-10(2)11(14)12-6-9-15-8-4-7-13/h5,13H,3-4,6-9H2,1-2H3,(H,12,14)/b10-5-.
What are the key properties of (Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide?
(Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide has a molecular weight of 231.36 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide is sourced from PubChem (CID 103767839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).