2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide

C12H18N4O2S — CID 62158279

IUPAC2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide
SMILESNc1ncccc1S(=O)(=O)NC1CCN2CCCC12
InChIInChI=1S/C12H18N4O2S/c13-12-11(4-1-6-14-12)19(17,18)15-9-5-8-16-7-2-3-10(9)16/h1,4,6,9-10,15H,2-3,5,7-8H2,(H2,13,14)
InChIKeyLFZLLYOXLQBWAO-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.18
Rot. Bonds3

About 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide

2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide (PubChem CID 62158279) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide
PubChem CID62158279
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide
SMILESNc1ncccc1S(=O)(=O)NC1CCN2CCCC12
InChIInChI=1S/C12H18N4O2S/c13-12-11(4-1-6-14-12)19(17,18)15-9-5-8-16-7-2-3-10(9)16/h1,4,6,9-10,15H,2-3,5,7-8H2,(H2,13,14)
InChIKeyLFZLLYOXLQBWAO-UHFFFAOYSA-N
XLogP0.18
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64923261
2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
CID 62157554
3-amino-2-bromo-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
CID 62956544
2-amino-N-(4-hydroxycyclohexyl)pyridine-3-sulfonamide
CID 62150570
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide
CID 81258644
2-amino-N-(1,1-dioxothian-4-yl)pyridine-3-sulfonamide
CID 62146133
2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide
CID 61051569
2-amino-N-(2,2-dimethylcyclopropyl)pyridine-3-sulfonamide
CID 62156766
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine
CID 102725260
N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 94784704
2-amino-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63663044
2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide
CID 62844973

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide (CID 62158279) is 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide is Nc1ncccc1S(=O)(=O)NC1CCN2CCCC12.
What is the InChIKey of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide?
The InChIKey is LFZLLYOXLQBWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c13-12-11(4-1-6-14-12)19(17,18)15-9-5-8-16-7-2-3-10(9)16/h1,4,6,9-10,15H,2-3,5,7-8H2,(H2,13,14).
What are the key properties of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide?
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 62158279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).