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

C12H15N3O2S3 — CID 106060980

IUPAC5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1cnc(NS(=O)(=O)c2csc(CNC3CC3)c2)s1
InChIInChI=1S/C12H15N3O2S3/c1-8-5-14-12(19-8)15-20(16,17)11-4-10(18-7-11)6-13-9-2-3-9/h4-5,7,9,13H,2-3,6H2,1H3,(H,14,15)
InChIKeyXYXOQBFDCUKLPM-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.57
Rot. Bonds6

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

5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (PubChem CID 106060980) has the molecular formula C12H15N3O2S3 and a molecular weight of 329.47 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
PubChem CID106060980
Molecular FormulaC12H15N3O2S3
Molecular Weight329.47 g/mol
Exact Mass329.03
IUPAC Name5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1cnc(NS(=O)(=O)c2csc(CNC3CC3)c2)s1
InChIInChI=1S/C12H15N3O2S3/c1-8-5-14-12(19-8)15-20(16,17)11-4-10(18-7-11)6-13-9-2-3-9/h4-5,7,9,13H,2-3,6H2,1H3,(H,14,15)
InChIKeyXYXOQBFDCUKLPM-UHFFFAOYSA-N
XLogP2.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081150
5-[(cyclopropylamino)methyl]-N',N'-dimethylthiophene-3-sulfonohydrazide
CID 106074767
5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide
CID 106029625
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
5-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)thiophene-3-sulfonamide
CID 106064269
5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106018237
5-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
CID 106063931
5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093537
5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084390
5-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028540
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106079368
5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410840

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (CID 106060980) is 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is Cc1cnc(NS(=O)(=O)c2csc(CNC3CC3)c2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The InChIKey is XYXOQBFDCUKLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S3/c1-8-5-14-12(19-8)15-20(16,17)11-4-10(18-7-11)6-13-9-2-3-9/h4-5,7,9,13H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide has a molecular weight of 329.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106060980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).