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

C8H19NO5S2 — CID 20769765

IUPACN-(2-methoxypropyl)-3-methylsulfonylpropane-1-sulfonamide
SMILESCOC(C)CNS(=O)(=O)CCCS(C)(=O)=O
InChIInChI=1S/C8H19NO5S2/c1-8(14-2)7-9-16(12,13)6-4-5-15(3,10)11/h8-9H,4-7H2,1-3H3
InChIKeyYRJFIWGIBBHUNJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.62
Rot. Bonds8

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

N-(2-methoxypropyl)-3-methylsulfonylpropane-1-sulfonamide (PubChem CID 20769765) has the molecular formula C8H19NO5S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-methoxypropyl)-3-methylsulfonylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-3-methylsulfonylpropane-1-sulfonamide
PubChem CID20769765
Molecular FormulaC8H19NO5S2
Molecular Weight273.38 g/mol
Exact Mass273.07
IUPAC NameN-(2-methoxypropyl)-3-methylsulfonylpropane-1-sulfonamide
SMILESCOC(C)CNS(=O)(=O)CCCS(C)(=O)=O
InChIInChI=1S/C8H19NO5S2/c1-8(14-2)7-9-16(12,13)6-4-5-15(3,10)11/h8-9H,4-7H2,1-3H3
InChIKeyYRJFIWGIBBHUNJ-UHFFFAOYSA-N
XLogP-0.62
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
The IUPAC name of N-(2-methoxypropyl)-3-methylsulfonylpropane-1-sulfonamide (CID 20769765) is N-(2-methoxypropyl)-3-methylsulfonylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-methoxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
The canonical SMILES for N-(2-methoxypropyl)-3-methylsulfonylpropane-1-sulfonamide is COC(C)CNS(=O)(=O)CCCS(C)(=O)=O.
What is the InChIKey of N-(2-methoxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
The InChIKey is YRJFIWGIBBHUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO5S2/c1-8(14-2)7-9-16(12,13)6-4-5-15(3,10)11/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(2-methoxypropyl)-3-methylsulfonylpropane-1-sulfonamide?
N-(2-methoxypropyl)-3-methylsulfonylpropane-1-sulfonamide has a molecular weight of 273.38 g/mol, XLogP of -0.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-3-methylsulfonylpropane-1-sulfonamide is sourced from PubChem (CID 20769765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).