N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide

C10H21NO4S — CID 103852371

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide
SMILESCC(C)C(CCO)NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-8(2)9(4-6-12)11-10(13)5-7-16(3,14)15/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyYLNFYESYBXZSQK-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.06
Rot. Bonds7

About N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide

N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide (PubChem CID 103852371) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide
PubChem CID103852371
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide
SMILESCC(C)C(CCO)NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-8(2)9(4-6-12)11-10(13)5-7-16(3,14)15/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyYLNFYESYBXZSQK-UHFFFAOYSA-N
XLogP-0.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide
CID 79252567
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 106349277
N-[(2R)-1-hydroxypropan-2-yl]-3-methylsulfonylpropanamide
CID 79030616
N-(4-hydroxy-2-methylbutyl)-3-methylsulfonylpropanamide
CID 66107104
N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide
CID 106357968
2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide
CID 103810722
N-(1-hydroxy-4-methylpentan-3-yl)-2-(methylamino)acetamide
CID 103810718
6-amino-4-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)hexanamide
CID 114176914
3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782450
N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 103750764
(2R)-3,3-dimethyl-2-(3-methylsulfonylpropanoylamino)butanoic acid
CID 93054880

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide (CID 103852371) is N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide is CC(C)C(CCO)NC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide?
The InChIKey is YLNFYESYBXZSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-8(2)9(4-6-12)11-10(13)5-7-16(3,14)15/h8-9,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide?
N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide has a molecular weight of 251.35 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 103852371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).