5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide

C11H17N3O2S2 — CID 114141679

IUPAC5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCC2CCCS2)nc1
InChIInChI=1S/C11H17N3O2S2/c12-6-9-3-4-11(13-7-9)18(15,16)14-8-10-2-1-5-17-10/h3-4,7,10,14H,1-2,5-6,8,12H2
InChIKeyJCOAHBSSLPKLIF-UHFFFAOYSA-N
MW287.41 g/mol
LogP0.71
Rot. Bonds5

About 5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide

5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide (PubChem CID 114141679) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide
PubChem CID114141679
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCC2CCCS2)nc1
InChIInChI=1S/C11H17N3O2S2/c12-6-9-3-4-11(13-7-9)18(15,16)14-8-10-2-1-5-17-10/h3-4,7,10,14H,1-2,5-6,8,12H2
InChIKeyJCOAHBSSLPKLIF-UHFFFAOYSA-N
XLogP0.71
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80586512
N-(1,4-dithian-2-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106078467
5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071705
2-hydrazinyl-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide
CID 80585516
2-amino-N-(thian-2-ylmethyl)pyrimidine-5-sulfonamide
CID 80613102
N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106027073
5-(aminomethyl)-N-(2-thiophen-3-ylethyl)pyridine-2-sulfonamide
CID 106050116
5-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-2-sulfonamide
CID 106002921
5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80584899
5-(aminomethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114552024
5-(aminomethyl)-N-(2-ethoxyethyl)pyridine-2-sulfonamide
CID 106020136
5-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)pyridine-2-sulfonamide
CID 106064004

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide (CID 114141679) is 5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide is NCc1ccc(S(=O)(=O)NCC2CCCS2)nc1.
What is the InChIKey of 5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide?
The InChIKey is JCOAHBSSLPKLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c12-6-9-3-4-11(13-7-9)18(15,16)14-8-10-2-1-5-17-10/h3-4,7,10,14H,1-2,5-6,8,12H2.
What are the key properties of 5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide?
5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide has a molecular weight of 287.41 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(thiolan-2-ylmethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 114141679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).