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

C11H14N4O2S3 — CID 106081177

IUPAC5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccc(CCNC2CC2)s1
InChIInChI=1S/C11H14N4O2S3/c16-20(17,15-11-14-13-7-18-11)10-4-3-9(19-10)5-6-12-8-1-2-8/h3-4,7-8,12H,1-2,5-6H2,(H,14,15)
InChIKeyCVAHFHYOIVRDGV-UHFFFAOYSA-N
MW330.46 g/mol
LogP1.69
Rot. Bonds7

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

5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 106081177) has the molecular formula C11H14N4O2S3 and a molecular weight of 330.46 g/mol. Its IUPAC name is 5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
PubChem CID106081177
Molecular FormulaC11H14N4O2S3
Molecular Weight330.46 g/mol
Exact Mass330.03
IUPAC Name5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccc(CCNC2CC2)s1
InChIInChI=1S/C11H14N4O2S3/c16-20(17,15-11-14-13-7-18-11)10-4-3-9(19-10)5-6-12-8-1-2-8/h3-4,7-8,12H,1-2,5-6H2,(H,14,15)
InChIKeyCVAHFHYOIVRDGV-UHFFFAOYSA-N
XLogP1.69
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-cyclobutylethyl)-5-[2-(cyclopropylamino)ethyl]thiophene-2-sulfonamide
CID 106084827
5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082883
5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 106028590
5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 106076226
5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081150
5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide
CID 106081360
N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine
CID 114414087
2-[(cyclopropylamino)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081251
1-N-(oxolan-3-yl)-2-N-(1,3,4-thiadiazol-2-yl)benzene-1,2-disulfonamide
CID 126817083
5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 106071328
3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide
CID 106081354
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106054807

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide (CID 106081177) is 5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1nncs1)c1ccc(CCNC2CC2)s1.
What is the InChIKey of 5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is CVAHFHYOIVRDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S3/c16-20(17,15-11-14-13-7-18-11)10-4-3-9(19-10)5-6-12-8-1-2-8/h3-4,7-8,12H,1-2,5-6H2,(H,14,15).
What are the key properties of 5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 330.46 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106081177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).