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

C12H17N3O3S2 — CID 106388977

IUPAC5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2ccc(CCN)s2)o1
InChIInChI=1S/C12H17N3O3S2/c1-8-7-14-12(18-8)9(2)15-20(16,17)11-4-3-10(19-11)5-6-13/h3-4,7,9,15H,5-6,13H2,1-2H3
InChIKeyHSPMWCAPXYJJRD-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.59
Rot. Bonds6

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

5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106388977) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106388977
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2ccc(CCN)s2)o1
InChIInChI=1S/C12H17N3O3S2/c1-8-7-14-12(18-8)9(2)15-20(16,17)11-4-3-10(19-11)5-6-13/h3-4,7,9,15H,5-6,13H2,1-2H3
InChIKeyHSPMWCAPXYJJRD-UHFFFAOYSA-N
XLogP1.59
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
CID 106388542
5-(2-aminoethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106283146
5-(2-aminoethyl)-N-(1-phenylethyl)thiophene-2-sulfonamide
CID 43520782
2-amino-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 106388982
5-(aminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390197
5-amino-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387556
3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106390169
5-amino-2-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387570
2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387542
5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390084
5-(2-aminoethyl)-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 61461194
2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 106389711

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide (CID 106388977) is 5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2ccc(CCN)s2)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is HSPMWCAPXYJJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-8-7-14-12(18-8)9(2)15-20(16,17)11-4-3-10(19-11)5-6-13/h3-4,7,9,15H,5-6,13H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106388977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).