N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide

C9H19NO4S — CID 79252567

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide
SMILESCC(C)C(CO)NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-7(2)8(6-11)10-9(12)4-5-15(3,13)14/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyIERFHKBHPUOFJT-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.45
Rot. Bonds6

About N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide

N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide (PubChem CID 79252567) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide
PubChem CID79252567
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide
SMILESCC(C)C(CO)NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-7(2)8(6-11)10-9(12)4-5-15(3,13)14/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyIERFHKBHPUOFJT-UHFFFAOYSA-N
XLogP-0.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide
CID 103852371
N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide
CID 79030616
4,4,4-trifluoro-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79252390
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide
CID 79249728
N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide
CID 79252546
methyl 3-hydroxy-2-(3-methylsulfonylpropanoylamino)propanoate
CID 43623416
N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79252664
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
(2R)-3,3-dimethyl-2-(3-methylsulfonylpropanoylamino)butanoic acid
CID 93054880
7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79250170

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide (CID 79252567) is N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide is CC(C)C(CO)NC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide?
The InChIKey is IERFHKBHPUOFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-7(2)8(6-11)10-9(12)4-5-15(3,13)14/h7-8,11H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide?
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide has a molecular weight of 237.32 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 79252567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).