(Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide

C11H21NO2S — CID 103798772

IUPAC(Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C11H21NO2S/c1-5-6-8(2)11(14)12-9(3)10(7-13)15-4/h6,9-10,13H,5,7H2,1-4H3,(H,12,14)/b8-6-
InChIKeyYFVSOVFFUWTHGR-VURMDHGXSA-N
MW231.36 g/mol
LogP1.57
Rot. Bonds6

About (Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide

(Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide (PubChem CID 103798772) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is (Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide
PubChem CID103798772
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name(Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C11H21NO2S/c1-5-6-8(2)11(14)12-9(3)10(7-13)15-4/h6,9-10,13H,5,7H2,1-4H3,(H,12,14)/b8-6-
InChIKeyYFVSOVFFUWTHGR-VURMDHGXSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide
CID 141458421
(E)-N-[(E)-3-butylsulfanylprop-2-enyl]-5-hydroxypent-2-enamide
CID 142525401
S-(2-acetamidoethyl) (E,5R)-5-hydroxy-2-methylhex-2-enethioate
CID 15548507
2-cyclopentylidene-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 75393322
(Z)-N-(4-hydroxybutan-2-yl)-2-methylpent-2-enamide
CID 81042635
2-cyclopentylidene-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]propanamide
CID 97247757
2-cyclopentylidene-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]propanamide
CID 97247758
2-cyclopentylidene-N-[(2S,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]propanamide
CID 97247759
2-cyclopentylidene-N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]propanamide
CID 97247760
(Z)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpent-2-enamide
CID 103767839
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103798697
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103798848

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide (CID 103798772) is (Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NC(C)C(CO)SC.
What is the InChIKey of (Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide?
The InChIKey is YFVSOVFFUWTHGR-VURMDHGXSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-5-6-8(2)11(14)12-9(3)10(7-13)15-4/h6,9-10,13H,5,7H2,1-4H3,(H,12,14)/b8-6-.
What are the key properties of (Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide?
(Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide has a molecular weight of 231.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide is sourced from PubChem (CID 103798772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).