5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide

C13H20N2O2S3 — CID 106084390

IUPAC5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
SMILESO=S(=O)(NC1CCSCC1)c1csc(CNC2CC2)c1
InChIInChI=1S/C13H20N2O2S3/c16-20(17,15-11-3-5-18-6-4-11)13-7-12(19-9-13)8-14-10-1-2-10/h7,9-11,14-15H,1-6,8H2
InChIKeyHUGBGLDGPUOFRH-UHFFFAOYSA-N
MW332.52 g/mol
LogP2.17
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide (PubChem CID 106084390) has the molecular formula C13H20N2O2S3 and a molecular weight of 332.52 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
PubChem CID106084390
Molecular FormulaC13H20N2O2S3
Molecular Weight332.52 g/mol
Exact Mass332.07
IUPAC Name5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
SMILESO=S(=O)(NC1CCSCC1)c1csc(CNC2CC2)c1
InChIInChI=1S/C13H20N2O2S3/c16-20(17,15-11-3-5-18-6-4-11)13-7-12(19-9-13)8-14-10-1-2-10/h7,9-11,14-15H,1-6,8H2
InChIKeyHUGBGLDGPUOFRH-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.52
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(propan-2-ylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084327
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide
CID 114552184
5-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)thiophene-3-sulfonamide
CID 106064269
5-[(cyclopropylamino)methyl]-N',N'-dimethylthiophene-3-sulfonohydrazide
CID 106074767
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide
CID 106072802
5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide
CID 106029625
5-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
CID 106063931
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106079368
5-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028540
5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081150
5-[(cyclopropylamino)methyl]-N-(3-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106050737

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide (CID 106084390) is 5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide is O=S(=O)(NC1CCSCC1)c1csc(CNC2CC2)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide?
The InChIKey is HUGBGLDGPUOFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S3/c16-20(17,15-11-3-5-18-6-4-11)13-7-12(19-9-13)8-14-10-1-2-10/h7,9-11,14-15H,1-6,8H2.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide has a molecular weight of 332.52 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106084390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).