N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide

C17H23N3O2S2 — CID 25312969

IUPACN-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCc1cccnc1N1CCCCCCC1)c1ccsc1
InChIInChI=1S/C17H23N3O2S2/c21-24(22,16-8-12-23-14-16)19-13-15-7-6-9-18-17(15)20-10-4-2-1-3-5-11-20/h6-9,12,14,19H,1-5,10-11,13H2
InChIKeyPBDWNQYGRJLQMG-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.39
Rot. Bonds5

About N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide

N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide (PubChem CID 25312969) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide
PubChem CID25312969
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC NameN-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCc1cccnc1N1CCCCCCC1)c1ccsc1
InChIInChI=1S/C17H23N3O2S2/c21-24(22,16-8-12-23-14-16)19-13-15-7-6-9-18-17(15)20-10-4-2-1-3-5-11-20/h6-9,12,14,19H,1-5,10-11,13H2
InChIKeyPBDWNQYGRJLQMG-UHFFFAOYSA-N
XLogP3.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide
CID 25454344
N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide
CID 29087481
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 35390284
N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)thiophene-3-sulfonamide
CID 126802053
1-[4-[[[2-(azocan-1-yl)-3-pyridinyl]methylamino]methyl]thiophen-2-yl]ethanone
CID 42195517
4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177942
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 35390128
N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
CID 55663375
1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
CID 26397264
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55598485
N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 72718077
5-acetamido-2-(methanesulfonamido)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 56539881

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide?
The IUPAC name of N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide (CID 25312969) is N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide is O=S(=O)(NCc1cccnc1N1CCCCCCC1)c1ccsc1.
What is the InChIKey of N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide?
The InChIKey is PBDWNQYGRJLQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c21-24(22,16-8-12-23-14-16)19-13-15-7-6-9-18-17(15)20-10-4-2-1-3-5-11-20/h6-9,12,14,19H,1-5,10-11,13H2.
What are the key properties of N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide?
N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide has a molecular weight of 365.52 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azocan-1-yl)-3-pyridinyl]methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 25312969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).