N-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide

C8H17NO5S — CID 66168340

IUPACN-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide
SMILESCC(O)(CO)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H17NO5S/c1-8(12,6-10)5-9-7(11)3-4-15(2,13)14/h10,12H,3-6H2,1-2H3,(H,9,11)
InChIKeyKHEFGRSCKGVEDC-UHFFFAOYSA-N
MW239.29 g/mol
LogP-1.72
Rot. Bonds6

About N-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide

N-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide (PubChem CID 66168340) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide
PubChem CID66168340
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide
SMILESCC(O)(CO)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H17NO5S/c1-8(12,6-10)5-9-7(11)3-4-15(2,13)14/h10,12H,3-6H2,1-2H3,(H,9,11)
InChIKeyKHEFGRSCKGVEDC-UHFFFAOYSA-N
XLogP-1.72
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide (CID 66168340) is N-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide is CC(O)(CO)CNC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide?
The InChIKey is KHEFGRSCKGVEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-8(12,6-10)5-9-7(11)3-4-15(2,13)14/h10,12H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide?
N-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide has a molecular weight of 239.29 g/mol, XLogP of -1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 66168340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).