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

C9H19NO4S — CID 115776855

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide
SMILESCCC(C)(CO)NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-5-9(3,6-11)10-8(12)7(2)15(4,13)14/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyPQPUSJBOMYZWEI-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.30
Rot. Bonds5

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

N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide (PubChem CID 115776855) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide
PubChem CID115776855
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide
SMILESCCC(C)(CO)NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-5-9(3,6-11)10-8(12)7(2)15(4,13)14/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyPQPUSJBOMYZWEI-UHFFFAOYSA-N
XLogP-0.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylsulfonylpropanamide
CID 104520531
N-(1-bromo-3-methylpentan-3-yl)-2-methylsulfonylpropanamide
CID 106169039
2-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)butanamide
CID 64557769
(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64549101
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64556014
propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate
CID 64557205
4-methyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 112700739
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylpentanamide
CID 114875408
N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582870
2-bromo-N-(3-methylpentan-3-yl)butanamide
CID 106328360
5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 64549300
3-(ethylamino)-N-(1-hydroxy-2-methylbutan-2-yl)butanamide
CID 64550140

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide (CID 115776855) is N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide is CCC(C)(CO)NC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide?
The InChIKey is PQPUSJBOMYZWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-5-9(3,6-11)10-8(12)7(2)15(4,13)14/h7,11H,5-6H2,1-4H3,(H,10,12).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide?
N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide has a molecular weight of 237.32 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 115776855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).