N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide

C11H17NO4S2 — CID 107271510

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(O)CCOC2C)s1
InChIInChI=1S/C11H17NO4S2/c1-8-3-4-10(17-8)18(14,15)12-7-11(13)5-6-16-9(11)2/h3-4,9,12-13H,5-7H2,1-2H3
InChIKeyUYCLUAGPMQJIAG-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.87
Rot. Bonds4

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 107271510) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide
PubChem CID107271510
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(O)CCOC2C)s1
InChIInChI=1S/C11H17NO4S2/c1-8-3-4-10(17-8)18(14,15)12-7-11(13)5-6-16-9(11)2/h3-4,9,12-13H,5-7H2,1-2H3
InChIKeyUYCLUAGPMQJIAG-UHFFFAOYSA-N
XLogP0.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271459
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 107271501
5-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 106099334
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
2,4,6-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271538
4-(2-chloroethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271443
3-hydroxy-2-methyl-3-[(sulfamoylamino)methyl]oxolane
CID 107268641
5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 106099373
3-amino-2,4-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 106099337
4-amino-3-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 106099374
2-chloro-5-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271388
4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106099858

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide (CID 107271510) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC2(O)CCOC2C)s1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is UYCLUAGPMQJIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-8-3-4-10(17-8)18(14,15)12-7-11(13)5-6-16-9(11)2/h3-4,9,12-13H,5-7H2,1-2H3.
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 291.39 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 107271510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).