4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide

C13H15N3O2S2 — CID 106082542

IUPAC4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1cc(CNC2CC2)cs1
InChIInChI=1S/C13H15N3O2S2/c17-20(18,16-12-3-1-2-6-14-12)13-7-10(9-19-13)8-15-11-4-5-11/h1-3,6-7,9,11,15H,4-5,8H2,(H,14,16)
InChIKeyFNJUYDFTRBTWGU-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.20
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide

4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 106082542) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID106082542
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1cc(CNC2CC2)cs1
InChIInChI=1S/C13H15N3O2S2/c17-20(18,16-12-3-1-2-6-14-12)13-7-10(9-19-13)8-15-11-4-5-11/h1-3,6-7,9,11,15H,4-5,8H2,(H,14,16)
InChIKeyFNJUYDFTRBTWGU-UHFFFAOYSA-N
XLogP2.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
CID 113304220
4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410755
4-[(cyclopropylamino)methyl]-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
CID 106071701
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide
CID 103466229
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 106063979
4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018930
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-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide
CID 106073795
4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide
CID 106084249
4-(aminomethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 107886913

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide (CID 106082542) is 4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide is O=S(=O)(Nc1ccccn1)c1cc(CNC2CC2)cs1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is FNJUYDFTRBTWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c17-20(18,16-12-3-1-2-6-14-12)13-7-10(9-19-13)8-15-11-4-5-11/h1-3,6-7,9,11,15H,4-5,8H2,(H,14,16).
What are the key properties of 4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide?
4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 309.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 106082542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).