5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide

C9H12N4O3S2 — CID 114184180

IUPAC5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(CN)s2)no1
InChIInChI=1S/C9H12N4O3S2/c1-6-12-8(13-16-6)5-11-18(14,15)9-3-2-7(4-10)17-9/h2-3,11H,4-5,10H2,1H3
InChIKeyIFBWBXFKNQIPRX-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.38
Rot. Bonds5

About 5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide

5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 114184180) has the molecular formula C9H12N4O3S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID114184180
Molecular FormulaC9H12N4O3S2
Molecular Weight288.35 g/mol
Exact Mass288.04
IUPAC Name5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(CN)s2)no1
InChIInChI=1S/C9H12N4O3S2/c1-6-12-8(13-16-6)5-11-18(14,15)9-3-2-7(4-10)17-9/h2-3,11H,4-5,10H2,1H3
InChIKeyIFBWBXFKNQIPRX-UHFFFAOYSA-N
XLogP0.38
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 132969309
5-(aminomethyl)-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410762
5-(2-aminoethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106419898
2-(aminomethyl)-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106410691
4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410707
5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 43155677
2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106401506
3-(aminomethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106410794
2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106410367
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]naphthalene-1-sulfonamide
CID 103740945
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394862
3-amino-2,4-dichloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391987

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide (CID 114184180) is 5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide is Cc1nc(CNS(=O)(=O)c2ccc(CN)s2)no1.
What is the InChIKey of 5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is IFBWBXFKNQIPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S2/c1-6-12-8(13-16-6)5-11-18(14,15)9-3-2-7(4-10)17-9/h2-3,11H,4-5,10H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide?
5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 288.35 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 114184180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).