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

C12H16N4O3S2 — CID 106410755

IUPAC4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cc(CNC3CC3)cs2)no1
InChIInChI=1S/C12H16N4O3S2/c1-8-15-11(16-19-8)6-14-21(17,18)12-4-9(7-20-12)5-13-10-2-3-10/h4,7,10,13-14H,2-3,5-6H2,1H3
InChIKeyKKDIRLAHCOTGJP-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.17
Rot. Bonds7

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

4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106410755) has the molecular formula C12H16N4O3S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID106410755
Molecular FormulaC12H16N4O3S2
Molecular Weight328.42 g/mol
Exact Mass328.07
IUPAC Name4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cc(CNC3CC3)cs2)no1
InChIInChI=1S/C12H16N4O3S2/c1-8-15-11(16-19-8)6-14-21(17,18)12-4-9(7-20-12)5-13-10-2-3-10/h4,7,10,13-14H,2-3,5-6H2,1H3
InChIKeyKKDIRLAHCOTGJP-UHFFFAOYSA-N
XLogP1.17
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410707
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide
CID 103466229
4-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
CID 113304220
4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035028
4-[(cyclopropylamino)methyl]-N-(2-ethoxy-2-methylpropyl)thiophene-2-sulfonamide
CID 106086794
4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
CID 83145859
4-[(cyclopropylamino)methyl]-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
CID 106071701
4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018930
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 132969309
4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 106410697
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 106063979
4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide
CID 106082542

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide (CID 106410755) is 4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide is Cc1nc(CNS(=O)(=O)c2cc(CNC3CC3)cs2)no1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is KKDIRLAHCOTGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S2/c1-8-15-11(16-19-8)6-14-21(17,18)12-4-9(7-20-12)5-13-10-2-3-10/h4,7,10,13-14H,2-3,5-6H2,1H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide?
4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 328.42 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106410755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).