N,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide

C11H14N2O4S2 — CID 30123859

IUPACN,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S[C@@H]2CCOC2=O)nc1
InChIInChI=1S/C11H14N2O4S2/c1-13(2)19(15,16)8-3-4-10(12-7-8)18-9-5-6-17-11(9)14/h3-4,7,9H,5-6H2,1-2H3/t9-/m1/s1
InChIKeyURUVZAAQGVISDB-SECBINFHSA-N
MW302.38 g/mol
LogP0.74
Rot. Bonds4

About N,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide

N,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide (PubChem CID 30123859) has the molecular formula C11H14N2O4S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide
PubChem CID30123859
Molecular FormulaC11H14N2O4S2
Molecular Weight302.38 g/mol
Exact Mass302.04
IUPAC NameN,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S[C@@H]2CCOC2=O)nc1
InChIInChI=1S/C11H14N2O4S2/c1-13(2)19(15,16)8-3-4-10(12-7-8)18-9-5-6-17-11(9)14/h3-4,7,9H,5-6H2,1-2H3/t9-/m1/s1
InChIKeyURUVZAAQGVISDB-SECBINFHSA-N
XLogP0.74
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide (CID 30123859) is N,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(S[C@@H]2CCOC2=O)nc1.
What is the InChIKey of N,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide?
The InChIKey is URUVZAAQGVISDB-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O4S2/c1-13(2)19(15,16)8-3-4-10(12-7-8)18-9-5-6-17-11(9)14/h3-4,7,9H,5-6H2,1-2H3/t9-/m1/s1.
What are the key properties of N,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide?
N,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide has a molecular weight of 302.38 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(3R)-2-oxooxolan-3-yl]sulfanylpyridine-3-sulfonamide is sourced from PubChem (CID 30123859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).