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

C11H24N2O2S — CID 106161631

IUPAC3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexanamide
SMILESCCCC(N)CC(=O)NC(C)C(CO)SC
InChIInChI=1S/C11H24N2O2S/c1-4-5-9(12)6-11(15)13-8(2)10(7-14)16-3/h8-10,14H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyFQQFQPRMAQUOMG-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.73
Rot. Bonds8

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

3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexanamide (PubChem CID 106161631) 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)hexanamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexanamide
PubChem CID106161631
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexanamide
SMILESCCCC(N)CC(=O)NC(C)C(CO)SC
InChIInChI=1S/C11H24N2O2S/c1-4-5-9(12)6-11(15)13-8(2)10(7-14)16-3/h8-10,14H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyFQQFQPRMAQUOMG-UHFFFAOYSA-N
XLogP0.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide
CID 106161596
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)decanamide
CID 103801257
3-(aminomethyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylhexanamide
CID 114152047
3-(ethylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 106161648
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
CID 103798799
3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103799042
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide
CID 106161447
ethyl 3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methylpropanoate
CID 106160496
ethyl 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanoate
CID 106160495
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexanamide?
The IUPAC name of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexanamide (CID 106161631) is 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexanamide.
What is the SMILES notation for 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexanamide?
The canonical SMILES for 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexanamide is CCCC(N)CC(=O)NC(C)C(CO)SC.
What is the InChIKey of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexanamide?
The InChIKey is FQQFQPRMAQUOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-5-9(12)6-11(15)13-8(2)10(7-14)16-3/h8-10,14H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexanamide?
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexanamide has a molecular weight of 248.39 g/mol, XLogP of 0.73, 8 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)hexanamide is sourced from PubChem (CID 106161631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).