3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide

C11H24N2O2S — CID 107771709

IUPAC3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide
SMILESCCCNC(C)(CSC(C)C(C)O)C(N)=O
InChIInChI=1S/C11H24N2O2S/c1-5-6-13-11(4,10(12)15)7-16-9(3)8(2)14/h8-9,13-14H,5-7H2,1-4H3,(H2,12,15)
InChIKeyTXGOPOKYUSJRIG-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.73
Rot. Bonds8

About 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide

3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide (PubChem CID 107771709) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide.

Molecular Properties

Compound Name3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide
PubChem CID107771709
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide
SMILESCCCNC(C)(CSC(C)C(C)O)C(N)=O
InChIInChI=1S/C11H24N2O2S/c1-5-6-13-11(4,10(12)15)7-16-9(3)8(2)14/h8-9,13-14H,5-7H2,1-4H3,(H2,12,15)
InChIKeyTXGOPOKYUSJRIG-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

Analyze 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide 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-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanamide
CID 107755689
4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64710629
2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid
CID 107771793
2-methyl-2-(propylamino)-4-propylsulfanylpentanamide
CID 64711997
2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide
CID 64709561
2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)-2-(propylamino)propanoic acid
CID 107771845
2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide
CID 64709010
methyl 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)propanoate
CID 107771732
3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanamide
CID 63856340
4-[2-methoxyethyl(methyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64710690
ethyl 3-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanoate
CID 66137754
2-methyl-4-pentan-2-yloxy-2-(propylamino)butanamide
CID 102984400

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide?
The IUPAC name of 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide (CID 107771709) is 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide.
What is the SMILES notation for 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide?
The canonical SMILES for 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide is CCCNC(C)(CSC(C)C(C)O)C(N)=O.
What is the InChIKey of 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide?
The InChIKey is TXGOPOKYUSJRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-5-6-13-11(4,10(12)15)7-16-9(3)8(2)14/h8-9,13-14H,5-7H2,1-4H3,(H2,12,15).
What are the key properties of 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide?
3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide 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-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide is sourced from PubChem (CID 107771709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).