2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide

C15H23N3O2S — CID 62157554

IUPAC2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NC1CCN2CCCC12
InChIInChI=1S/C15H23N3O2S/c1-2-16-13-6-3-4-8-15(13)21(19,20)17-12-9-11-18-10-5-7-14(12)18/h3-4,6,8,12,14,16-17H,2,5,7,9-11H2,1H3
InChIKeyPMDVJAFKXHENHQ-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.63
Rot. Bonds5

About 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide

2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide (PubChem CID 62157554) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
PubChem CID62157554
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NC1CCN2CCCC12
InChIInChI=1S/C15H23N3O2S/c1-2-16-13-6-3-4-8-15(13)21(19,20)17-12-9-11-18-10-5-7-14(12)18/h3-4,6,8,12,14,16-17H,2,5,7,9-11H2,1H3
InChIKeyPMDVJAFKXHENHQ-UHFFFAOYSA-N
XLogP1.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62146904
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-3-sulfonamide
CID 62158279
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide
CID 63903096
N-ethyl-2-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 62164191
N-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853541
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)benzenesulfonamide
CID 114551008
N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide
CID 62162999
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide
CID 81258644
N-(1-methylpiperidin-4-yl)-2-(propylamino)benzenesulfonamide
CID 62143440
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62145800
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106010727

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide?
The IUPAC name of 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide (CID 62157554) is 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide is CCNc1ccccc1S(=O)(=O)NC1CCN2CCCC12.
What is the InChIKey of 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide?
The InChIKey is PMDVJAFKXHENHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-2-16-13-6-3-4-8-15(13)21(19,20)17-12-9-11-18-10-5-7-14(12)18/h3-4,6,8,12,14,16-17H,2,5,7,9-11H2,1H3.
What are the key properties of 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide?
2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide is sourced from PubChem (CID 62157554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).