N-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide

C7H17NO5S2 — CID 20769763

IUPACN-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide
SMILESCC(O)CNS(=O)(=O)CCCS(C)(=O)=O
InChIInChI=1S/C7H17NO5S2/c1-7(9)6-8-15(12,13)5-3-4-14(2,10)11/h7-9H,3-6H2,1-2H3
InChIKeyPZTCDHVAEFNPHG-UHFFFAOYSA-N
MW259.35 g/mol
LogP-1.28
Rot. Bonds7

About N-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide

N-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide (PubChem CID 20769763) has the molecular formula C7H17NO5S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide
PubChem CID20769763
Molecular FormulaC7H17NO5S2
Molecular Weight259.35 g/mol
Exact Mass259.05
IUPAC NameN-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide
SMILESCC(O)CNS(=O)(=O)CCCS(C)(=O)=O
InChIInChI=1S/C7H17NO5S2/c1-7(9)6-8-15(12,13)5-3-4-14(2,10)11/h7-9H,3-6H2,1-2H3
InChIKeyPZTCDHVAEFNPHG-UHFFFAOYSA-N
XLogP-1.28
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxypropyl]propane-1-sulfonamide
CID 39237442
Dimethyl ammonio-2-hydroxyl-1-propane sulfonate
CID 129849176
2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide
CID 103834045
N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylethanesulfonamide
CID 103836843
3,3,3-trifluoro-N-[2-hydroxy-4-(methylsulfanyl)butyl]propane-1-sulfonamide
CID 137967686
1-Aminopropan-2-ol;ethanesulfonic acid
CID 20512936
Lithium 2-hydroxy-3-[3-(methanesulfonamido)propylsulfonylamino]propane-1-sulfonate
CID 20769637
2-Hydroxy-3-[3-(methanesulfonamido)propylsulfonylamino]propane-1-sulfonic acid
CID 20769638
Lithium 2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate
CID 20769639
2-Hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonic acid
CID 20769640
Potassium 2-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate
CID 20769641
N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide
CID 20769755

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide (CID 20769763) is N-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide is CC(O)CNS(=O)(=O)CCCS(C)(=O)=O.
What is the InChIKey of N-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
The InChIKey is PZTCDHVAEFNPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO5S2/c1-7(9)6-8-15(12,13)5-3-4-14(2,10)11/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
N-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide has a molecular weight of 259.35 g/mol, XLogP of -1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide is sourced from PubChem (CID 20769763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).