5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide

C11H14N2O4S2 — CID 106390084

IUPAC5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2csc(CO)c2)o1
InChIInChI=1S/C11H14N2O4S2/c1-7-4-12-11(17-7)8(2)13-19(15,16)10-3-9(5-14)18-6-10/h3-4,6,8,13-14H,5H2,1-2H3
InChIKeyJSHJQYPEVWAIFE-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.58
Rot. Bonds5

About 5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide

5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106390084) has the molecular formula C11H14N2O4S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106390084
Molecular FormulaC11H14N2O4S2
Molecular Weight302.38 g/mol
Exact Mass302.04
IUPAC Name5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2csc(CO)c2)o1
InChIInChI=1S/C11H14N2O4S2/c1-7-4-12-11(17-7)8(2)13-19(15,16)10-3-9(5-14)18-6-10/h3-4,6,8,13-14H,5H2,1-2H3
InChIKeyJSHJQYPEVWAIFE-UHFFFAOYSA-N
XLogP1.58
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390197
2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 106389711
3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106390169
2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390208
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106389555
methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate
CID 104773168
5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 106388977
2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 103947083
2-amino-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 106388982
3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 103947097
5-amino-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387556
5-amino-2-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387570

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide (CID 106390084) is 5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2csc(CO)c2)o1.
What is the InChIKey of 5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is JSHJQYPEVWAIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S2/c1-7-4-12-11(17-7)8(2)13-19(15,16)10-3-9(5-14)18-6-10/h3-4,6,8,13-14H,5H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide?
5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 302.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106390084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).