5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide

C12H19NO4S2 — CID 82745833

IUPAC5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1ccc(CCO)s1
InChIInChI=1S/C12H19NO4S2/c1-9-11(6-8-17-9)13(2)19(15,16)12-4-3-10(18-12)5-7-14/h3-4,9,11,14H,5-8H2,1-2H3
InChIKeyBOEHCISGBYHCDL-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.08
Rot. Bonds5

About 5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide

5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide (PubChem CID 82745833) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
PubChem CID82745833
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC Name5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1ccc(CCO)s1
InChIInChI=1S/C12H19NO4S2/c1-9-11(6-8-17-9)13(2)19(15,16)12-4-3-10(18-12)5-7-14/h3-4,9,11,14H,5-8H2,1-2H3
InChIKeyBOEHCISGBYHCDL-UHFFFAOYSA-N
XLogP1.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82745504
2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82745252
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 82745499
4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82729543
5-(2-aminoethyl)-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 43520978
5-(2-hydroxyethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 79318370
4-N-methyl-4-N-(2-methyloxolan-3-yl)benzene-1,4-disulfonamide
CID 82729852
N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82744478
2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82735715
2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43213263
5-chloro-3-(hydroxymethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82878733
5-(2-aminoethyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
CID 61436431

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide (CID 82745833) is 5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide is CC1OCCC1N(C)S(=O)(=O)c1ccc(CCO)s1.
What is the InChIKey of 5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
The InChIKey is BOEHCISGBYHCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-9-11(6-8-17-9)13(2)19(15,16)12-4-3-10(18-12)5-7-14/h3-4,9,11,14H,5-8H2,1-2H3.
What are the key properties of 5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide has a molecular weight of 305.42 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 82745833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).