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

C12H16N4O3S2 — CID 106411257

IUPAC5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCCc1ncon1)c1csc(CNC2CC2)c1
InChIInChI=1S/C12H16N4O3S2/c17-21(18,15-4-3-12-14-8-19-16-12)11-5-10(20-7-11)6-13-9-1-2-9/h5,7-9,13,15H,1-4,6H2
InChIKeyMOGZTCLTALCSBT-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.90
Rot. Bonds8

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

5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106411257) has the molecular formula C12H16N4O3S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106411257
Molecular FormulaC12H16N4O3S2
Molecular Weight328.42 g/mol
Exact Mass328.07
IUPAC Name5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCCc1ncon1)c1csc(CNC2CC2)c1
InChIInChI=1S/C12H16N4O3S2/c17-21(18,15-4-3-12-14-8-19-16-12)11-5-10(20-7-11)6-13-9-1-2-9/h5,7-9,13,15H,1-4,6H2
InChIKeyMOGZTCLTALCSBT-UHFFFAOYSA-N
XLogP0.90
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410840
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411301
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093537
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-(thian-4-yl)thiophene-3-sulfonamide
CID 106084390
5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081150
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106079368
5-[(cyclopropylamino)methyl]-N-(3-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106050737
5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
CID 106073745
5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106076432

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide (CID 106411257) is 5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide is O=S(=O)(NCCc1ncon1)c1csc(CNC2CC2)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is MOGZTCLTALCSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S2/c17-21(18,15-4-3-12-14-8-19-16-12)11-5-10(20-7-11)6-13-9-1-2-9/h5,7-9,13,15H,1-4,6H2.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 328.42 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106411257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).