5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide

C14H19N3O2S2 — CID 43605840

IUPAC5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNCc2cccnc2)s1
InChIInChI=1S/C14H19N3O2S2/c1-12-5-6-14(20-12)21(18,19)17-9-3-8-16-11-13-4-2-7-15-10-13/h2,4-7,10,16-17H,3,8-9,11H2,1H3
InChIKeySLKQJMFGJAZZLH-UHFFFAOYSA-N
MW325.46 g/mol
LogP1.91
Rot. Bonds8

About 5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide

5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide (PubChem CID 43605840) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide
PubChem CID43605840
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNCc2cccnc2)s1
InChIInChI=1S/C14H19N3O2S2/c1-12-5-6-14(20-12)21(18,19)17-9-3-8-16-11-13-4-2-7-15-10-13/h2,4-7,10,16-17H,3,8-9,11H2,1H3
InChIKeySLKQJMFGJAZZLH-UHFFFAOYSA-N
XLogP1.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide
CID 103951403
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
CID 43605828
3-[[3-(sulfamoylamino)propylamino]methyl]pyridine
CID 114959317
5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106030764
5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide
CID 110661337
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide
CID 61132568
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106267194
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
3-(propylamino)-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 106030719
N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 63256061
N-[3-(pyridin-3-ylmethylamino)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
CID 100627148

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide (CID 43605840) is 5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCCNCc2cccnc2)s1.
What is the InChIKey of 5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide?
The InChIKey is SLKQJMFGJAZZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-12-5-6-14(20-12)21(18,19)17-9-3-8-16-11-13-4-2-7-15-10-13/h2,4-7,10,16-17H,3,8-9,11H2,1H3.
What are the key properties of 5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide?
5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 43605840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).