5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide

C14H17N3O2S2 — CID 106071328

IUPAC5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(CNC3CC3)s2)ccn1
InChIInChI=1S/C14H17N3O2S2/c1-10-8-12(6-7-15-10)17-21(18,19)14-5-4-13(20-14)9-16-11-2-3-11/h4-8,11,16H,2-3,9H2,1H3,(H,15,17)
InChIKeyXTINPICJLCQZBR-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.50
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide (PubChem CID 106071328) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
PubChem CID106071328
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(CNC3CC3)s2)ccn1
InChIInChI=1S/C14H17N3O2S2/c1-10-8-12(6-7-15-10)17-21(18,19)14-5-4-13(20-14)9-16-11-2-3-11/h4-8,11,16H,2-3,9H2,1H3,(H,15,17)
InChIKeyXTINPICJLCQZBR-UHFFFAOYSA-N
XLogP2.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 79240386
5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)furan-2-sulfonamide
CID 106071264
5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082883
5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide
CID 106091245
5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
CID 106071355
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
CID 106079469
5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081562
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035127
N-(cyclopentylsulfamoyl)-2-methylpyridin-4-amine
CID 110675824
2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 79240768
5-(ethylaminomethyl)-N-(6-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106073184
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide (CID 106071328) is 5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc(CNC3CC3)s2)ccn1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide?
The InChIKey is XTINPICJLCQZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-10-8-12(6-7-15-10)17-21(18,19)14-5-4-13(20-14)9-16-11-2-3-11/h4-8,11,16H,2-3,9H2,1H3,(H,15,17).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide has a molecular weight of 323.44 g/mol, XLogP of 2.50, 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-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106071328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).