N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide

C10H21NO2S — CID 103798799

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C10H21NO2S/c1-5-7(2)10(13)11-8(3)9(6-12)14-4/h7-9,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyZVYNQEKTRHFCCI-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.26
Rot. Bonds6

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide (PubChem CID 103798799) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
PubChem CID103798799
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C10H21NO2S/c1-5-7(2)10(13)11-8(3)9(6-12)14-4/h7-9,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyZVYNQEKTRHFCCI-UHFFFAOYSA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103801532
2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103867126
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 103867207
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide
CID 106161500
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenoxybutanamide
CID 103801212
2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide
CID 106161524
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide
CID 103798990
3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 106161648
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide
CID 103801257
3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103799042
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-2-(methylamino)propanamide
CID 106161614
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide (CID 103798799) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide is CCC(C)C(=O)NC(C)C(CO)SC.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide?
The InChIKey is ZVYNQEKTRHFCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-7(2)10(13)11-8(3)9(6-12)14-4/h7-9,12H,5-6H2,1-4H3,(H,11,13).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide has a molecular weight of 219.35 g/mol, XLogP of 1.26, 6 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)-2-methylbutanamide is sourced from PubChem (CID 103798799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).