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

C12H17N3O3S2 — CID 106378067

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccsc2CNC)o1
InChIInChI=1S/C12H17N3O3S2/c1-3-9-6-14-12(18-9)8-15-20(16,17)11-4-5-19-10(11)7-13-2/h4-6,13,15H,3,7-8H2,1-2H3
InChIKeyZUNGYMYUSIULBQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.50
Rot. Bonds7

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106378067) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106378067
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccsc2CNC)o1
InChIInChI=1S/C12H17N3O3S2/c1-3-9-6-14-12(18-9)8-15-20(16,17)11-4-5-19-10(11)7-13-2/h4-6,13,15H,3,7-8H2,1-2H3
InChIKeyZUNGYMYUSIULBQ-UHFFFAOYSA-N
XLogP1.50
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106377727
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106373721
5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106368938
3-amino-2,4-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368958
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106368906
5-amino-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369008
2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 104889969
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
CID 106377860
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide
CID 106377845
4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368933

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 106378067) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide is CCc1cnc(CNS(=O)(=O)c2ccsc2CNC)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is ZUNGYMYUSIULBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-3-9-6-14-12(18-9)8-15-20(16,17)11-4-5-19-10(11)7-13-2/h4-6,13,15H,3,7-8H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106378067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).