N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide

C7H17NO6S2 — CID 20769755

IUPACN-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide
SMILESCS(=O)(=O)CCCS(=O)(=O)NCC(O)CO
InChIInChI=1S/C7H17NO6S2/c1-15(11,12)3-2-4-16(13,14)8-5-7(10)6-9/h7-10H,2-6H2,1H3
InChIKeyPLNMZQBKCLZQST-UHFFFAOYSA-N
MW275.35 g/mol
LogP-2.31
Rot. Bonds8

About N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide

N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide (PubChem CID 20769755) has the molecular formula C7H17NO6S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide
PubChem CID20769755
Molecular FormulaC7H17NO6S2
Molecular Weight275.35 g/mol
Exact Mass275.05
IUPAC NameN-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide
SMILESCS(=O)(=O)CCCS(=O)(=O)NCC(O)CO
InChIInChI=1S/C7H17NO6S2/c1-15(11,12)3-2-4-16(13,14)8-5-7(10)6-9/h7-10H,2-6H2,1H3
InChIKeyPLNMZQBKCLZQST-UHFFFAOYSA-N
XLogP-2.31
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 5-2.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide (CID 20769755) is N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide is CS(=O)(=O)CCCS(=O)(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
The InChIKey is PLNMZQBKCLZQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO6S2/c1-15(11,12)3-2-4-16(13,14)8-5-7(10)6-9/h7-10H,2-6H2,1H3.
What are the key properties of N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide has a molecular weight of 275.35 g/mol, XLogP of -2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide is sourced from PubChem (CID 20769755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).