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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Related Compounds

(3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one
CID 7569970
3-[(5-methyl-2-pyridinyl)sulfanyl]oxolan-2-one
CID 59382501
N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 7759590
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride
CID 103341263
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 103602501
6-(2-hydroxyphenyl)sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 103341224
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid
CID 103340937
5-(dimethylsulfamoyl)pyridine-2-carbothioamide
CID 114614067
6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 24530942
(3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one
CID 35501475
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate
CID 157495635

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).