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

C11H14N4O3S2 — CID 106410840

IUPAC5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCc1ncon1)c1csc(CNC2CC2)c1
InChIInChI=1S/C11H14N4O3S2/c16-20(17,14-5-11-13-7-18-15-11)10-3-9(19-6-10)4-12-8-1-2-8/h3,6-8,12,14H,1-2,4-5H2
InChIKeyHDIDAFXPNSMLSD-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.86
Rot. Bonds7

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

5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide (PubChem CID 106410840) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
PubChem CID106410840
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC Name5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCc1ncon1)c1csc(CNC2CC2)c1
InChIInChI=1S/C11H14N4O3S2/c16-20(17,14-5-11-13-7-18-15-11)10-3-9(19-6-10)4-12-8-1-2-8/h3,6-8,12,14H,1-2,4-5H2
InChIKeyHDIDAFXPNSMLSD-UHFFFAOYSA-N
XLogP0.86
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411257
5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093537
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
5-[(cyclopropylamino)methyl]-N',N'-dimethylthiophene-3-sulfonohydrazide
CID 106074767
5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106018237
5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106076432
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411301
2-(cyclopropylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide
CID 106410989
1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
CID 106411075
5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084390
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106079368
5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081150

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide (CID 106410840) is 5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide is O=S(=O)(NCc1ncon1)c1csc(CNC2CC2)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is HDIDAFXPNSMLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c16-20(17,14-5-11-13-7-18-15-11)10-3-9(19-6-10)4-12-8-1-2-8/h3,6-8,12,14H,1-2,4-5H2.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 314.39 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106410840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).