N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide

C10H19NO2S — CID 103798990

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide
SMILESCSC(CO)C(C)NC(=O)C=C(C)C
InChIInChI=1S/C10H19NO2S/c1-7(2)5-10(13)11-8(3)9(6-12)14-4/h5,8-9,12H,6H2,1-4H3,(H,11,13)
InChIKeyROFBVQRSHVVEON-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.18
Rot. Bonds5

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

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide (PubChem CID 103798990) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide
PubChem CID103798990
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide
SMILESCSC(CO)C(C)NC(=O)C=C(C)C
InChIInChI=1S/C10H19NO2S/c1-7(2)5-10(13)11-8(3)9(6-12)14-4/h5,8-9,12H,6H2,1-4H3,(H,11,13)
InChIKeyROFBVQRSHVVEON-UHFFFAOYSA-N
XLogP1.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide
CID 109889131
N-(4-hydroxybutan-2-yl)-3-methylbut-2-enamide
CID 81041422
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbut-2-enamide
CID 103767793
(Z)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpent-2-enamide
CID 103798772
(E)-N-[2-(3-hydroxypropylsulfanyl)ethyl]but-2-enamide
CID 103801044
(2E)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexa-2,4-dienamide
CID 103867163
(E)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)but-2-enamide
CID 103867177
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)but-3-enamide
CID 106156261
2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 106161493
4-[(4-Hydroxy-3-methylsulfanylbutan-2-yl)amino]-3-methylbut-2-enoic acid
CID 106162370
3-(3-Methylbut-2-enylamino)-2-methylsulfanylbutan-1-ol
CID 106547216
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)prop-2-enamide
CID 107363205

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide (CID 103798990) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide is CSC(CO)C(C)NC(=O)C=C(C)C.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide?
The InChIKey is ROFBVQRSHVVEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-7(2)5-10(13)11-8(3)9(6-12)14-4/h5,8-9,12H,6H2,1-4H3,(H,11,13).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide has a molecular weight of 217.33 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-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide is sourced from PubChem (CID 103798990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).