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

C11H21NO2S — CID 103801532

IUPAC2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCSC(CO)C(C)NC(=O)C(C)C1CC1
InChIInChI=1S/C11H21NO2S/c1-7(9-4-5-9)11(14)12-8(2)10(6-13)15-3/h7-10,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyUZTGXKFALFWGJS-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.26
Rot. Bonds6

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

2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (PubChem CID 103801532) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
PubChem CID103801532
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCSC(CO)C(C)NC(=O)C(C)C1CC1
InChIInChI=1S/C11H21NO2S/c1-7(9-4-5-9)11(14)12-8(2)10(6-13)15-3/h7-10,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyUZTGXKFALFWGJS-UHFFFAOYSA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
CID 103798799
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(thian-4-yl)acetamide
CID 103801422
N-cyclopropyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
CID 106160804
2-(2-cyclopropylpropanoylamino)propanoic acid
CID 81456146
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 103867207
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyloxolane-2-carboxamide
CID 103801459
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide
CID 106161500
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114151191
2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide
CID 106161524
1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 103801448
2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
CID 97235375
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide
CID 103798990

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The IUPAC name of 2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (CID 103801532) is 2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.
What is the SMILES notation for 2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The canonical SMILES for 2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is CSC(CO)C(C)NC(=O)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The InChIKey is UZTGXKFALFWGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-7(9-4-5-9)11(14)12-8(2)10(6-13)15-3/h7-10,13H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide has a molecular weight of 231.36 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 2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is sourced from PubChem (CID 103801532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).