N-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide

C11H22N2O2S — CID 106160804

IUPACN-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
SMILESCSC(CO)C(C)NC(C)C(=O)NC1CC1
InChIInChI=1S/C11H22N2O2S/c1-7(10(6-14)16-3)12-8(2)11(15)13-9-4-5-9/h7-10,12,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyZBXBRMZWNDRESZ-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.36
Rot. Bonds7

About N-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide

N-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide (PubChem CID 106160804) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
PubChem CID106160804
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
SMILESCSC(CO)C(C)NC(C)C(=O)NC1CC1
InChIInChI=1S/C11H22N2O2S/c1-7(10(6-14)16-3)12-8(2)11(15)13-9-4-5-9/h7-10,12,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyZBXBRMZWNDRESZ-UHFFFAOYSA-N
XLogP0.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]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

N-butyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
CID 106160696
N-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)propanamide
CID 102870007
N-cyclopropyl-2-(propan-2-ylamino)propanamide
CID 43085808
2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103801532
N-cyclopentyl-2-(3-methylpentan-2-ylamino)propanamide
CID 54950797
ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498803
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
CID 103798799
2-(1-cyclohexylethylamino)-N-cyclopropylpropanamide
CID 62405745
3-[1-(1-methylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol
CID 103785232
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide
CID 103861132
3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-hydroxypropanamide
CID 106174838
N-cyclopropyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]propanamide
CID 115672953

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide?
The IUPAC name of N-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide (CID 106160804) is N-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide is CSC(CO)C(C)NC(C)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide?
The InChIKey is ZBXBRMZWNDRESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-7(10(6-14)16-3)12-8(2)11(15)13-9-4-5-9/h7-10,12,14H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide?
N-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide has a molecular weight of 246.38 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide is sourced from PubChem (CID 106160804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).