5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

C14H19N3O2S2 — CID 106030764

IUPAC5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NCc2cccnc2)s1
InChIInChI=1S/C14H19N3O2S2/c1-2-7-15-11-13-5-6-14(20-13)21(18,19)17-10-12-4-3-8-16-9-12/h3-6,8-9,15,17H,2,7,10-11H2,1H3
InChIKeySHBKGCPNBMRESD-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.12
Rot. Bonds8

About 5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106030764) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID106030764
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NCc2cccnc2)s1
InChIInChI=1S/C14H19N3O2S2/c1-2-7-15-11-13-5-6-14(20-13)21(18,19)17-10-12-4-3-8-16-9-12/h3-6,8-9,15,17H,2,7,10-11H2,1H3
InChIKeySHBKGCPNBMRESD-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
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

5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide
CID 43605840
5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106267194
3-(propylamino)-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 106030719
N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055808
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017196
4,5-dichloro-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 6737013
2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide
CID 103951403
N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106092862
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106082756
2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63945197
N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106424030

Frequently Asked Questions

What is the IUPAC name of 5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (CID 106030764) is 5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is CCCNCc1ccc(S(=O)(=O)NCc2cccnc2)s1.
What is the InChIKey of 5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is SHBKGCPNBMRESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-2-7-15-11-13-5-6-14(20-13)21(18,19)17-10-12-4-3-8-16-9-12/h3-6,8-9,15,17H,2,7,10-11H2,1H3.
What are the key properties of 5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106030764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).