3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide

C11H24N2O2S — CID 106161596

IUPAC3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide
SMILESCSC(CO)C(C)NC(=O)CC(N)C(C)C
InChIInChI=1S/C11H24N2O2S/c1-7(2)9(12)5-11(15)13-8(3)10(6-14)16-4/h7-10,14H,5-6,12H2,1-4H3,(H,13,15)
InChIKeyLWDUCWLJZBYNTH-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.59
Rot. Bonds7

About 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide

3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide (PubChem CID 106161596) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide
PubChem CID106161596
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide
SMILESCSC(CO)C(C)NC(=O)CC(N)C(C)C
InChIInChI=1S/C11H24N2O2S/c1-7(2)9(12)5-11(15)13-8(3)10(6-14)16-4/h7-10,14H,5-6,12H2,1-4H3,(H,13,15)
InChIKeyLWDUCWLJZBYNTH-UHFFFAOYSA-N
XLogP0.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexanamide
CID 106161631
3-(aminomethyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylhexanamide
CID 114152047
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide
CID 106161447
3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 106161648
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide
CID 103801257
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
CID 103798799
3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103799042
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 114151192
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
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(thian-4-yl)acetamide
CID 103801422
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide
CID 106161500

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide?
The IUPAC name of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide (CID 106161596) is 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide.
What is the SMILES notation for 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide?
The canonical SMILES for 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide is CSC(CO)C(C)NC(=O)CC(N)C(C)C.
What is the InChIKey of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide?
The InChIKey is LWDUCWLJZBYNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-7(2)9(12)5-11(15)13-8(3)10(6-14)16-4/h7-10,14H,5-6,12H2,1-4H3,(H,13,15).
What are the key properties of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide?
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide has a molecular weight of 248.39 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide is sourced from PubChem (CID 106161596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).