N-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide

C7H15NO5S — CID 66175592

IUPACN-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NCC(O)CO
InChIInChI=1S/C7H15NO5S/c1-14(12,13)3-2-7(11)8-4-6(10)5-9/h6,9-10H,2-5H2,1H3,(H,8,11)
InChIKeyADXASBSVIRSZHU-UHFFFAOYSA-N
MW225.27 g/mol
LogP-2.11
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide

N-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide (PubChem CID 66175592) has the molecular formula C7H15NO5S and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide
PubChem CID66175592
Molecular FormulaC7H15NO5S
Molecular Weight225.27 g/mol
Exact Mass225.07
IUPAC NameN-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NCC(O)CO
InChIInChI=1S/C7H15NO5S/c1-14(12,13)3-2-7(11)8-4-6(10)5-9/h6,9-10H,2-5H2,1H3,(H,8,11)
InChIKeyADXASBSVIRSZHU-UHFFFAOYSA-N
XLogP-2.11
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-decylsulfonyl-N-(2,3-dihydroxypropyl)acetamide
CID 508460
2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103723214
3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726141
N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide
CID 103770024
N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylpropanamide
CID 105649085
N-(4-Hydroxy-1,1-dioxo-1lambda6-thiolan-3-yl)acetamide
CID 10058434
Potassium 3-acetamido-2-hydroxypropane-1-sulfonate
CID 20769677
3-Acetamido-2-hydroxypropane-1-sulfonic acid
CID 20769678
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide
CID 42083098
N-ethyl-3-ethylsulfonyl-3-hydroxypropanamide
CID 53833505
3-Acetamido-2-hydroxypropane-1-sulfonic acid;meitnerium
CID 58814107
N-(3-hydroxypropyl)-2-methylsulfonylacetamide
CID 61342786

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide (CID 66175592) is N-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide?
The InChIKey is ADXASBSVIRSZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5S/c1-14(12,13)3-2-7(11)8-4-6(10)5-9/h6,9-10H,2-5H2,1H3,(H,8,11).
What are the key properties of N-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide?
N-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide has a molecular weight of 225.27 g/mol, XLogP of -2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 66175592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).