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

C10H14N4O3S2 — CID 106423719

IUPAC4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1noc(CCNS(=O)(=O)c2cc(CN)cs2)n1
InChIInChI=1S/C10H14N4O3S2/c1-7-13-9(17-14-7)2-3-12-19(15,16)10-4-8(5-11)6-18-10/h4,6,12H,2-3,5,11H2,1H3
InChIKeyWOOHDLKIXHFWDX-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.42
Rot. Bonds6

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

4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106423719) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106423719
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC Name4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1noc(CCNS(=O)(=O)c2cc(CN)cs2)n1
InChIInChI=1S/C10H14N4O3S2/c1-7-13-9(17-14-7)2-3-12-19(15,16)10-4-8(5-11)6-18-10/h4,6,12H,2-3,5,11H2,1H3
InChIKeyWOOHDLKIXHFWDX-UHFFFAOYSA-N
XLogP0.42
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378242
4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378096
3-amino-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413692
2,4,6-trichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 47087293
5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 113254409
2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 103768332
4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106419948
4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide
CID 106095139
2-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106423536
3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413793
3-amino-5-chloro-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413778
2-amino-6-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413696

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide (CID 106423719) is 4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide is Cc1noc(CCNS(=O)(=O)c2cc(CN)cs2)n1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is WOOHDLKIXHFWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c1-7-13-9(17-14-7)2-3-12-19(15,16)10-4-8(5-11)6-18-10/h4,6,12H,2-3,5,11H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide?
4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 302.38 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106423719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).