N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide

C14H20N2O4S — CID 105360587

IUPACN-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide
SMILESNc1cc2c(cc1NS(=O)(=O)C1CCCC1)OCCCO2
InChIInChI=1S/C14H20N2O4S/c15-11-8-13-14(20-7-3-6-19-13)9-12(11)16-21(17,18)10-4-1-2-5-10/h8-10,16H,1-7,15H2
InChIKeyKGCNOXTXWIRKMK-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.11
Rot. Bonds3

About N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide

N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide (PubChem CID 105360587) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide
PubChem CID105360587
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide
SMILESNc1cc2c(cc1NS(=O)(=O)C1CCCC1)OCCCO2
InChIInChI=1S/C14H20N2O4S/c15-11-8-13-14(20-7-3-6-19-13)9-12(11)16-21(17,18)10-4-1-2-5-10/h8-10,16H,1-7,15H2
InChIKeyKGCNOXTXWIRKMK-UHFFFAOYSA-N
XLogP2.11
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide?
The IUPAC name of N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide (CID 105360587) is N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide.
What is the SMILES notation for N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide?
The canonical SMILES for N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide is Nc1cc2c(cc1NS(=O)(=O)C1CCCC1)OCCCO2.
What is the InChIKey of N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide?
The InChIKey is KGCNOXTXWIRKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c15-11-8-13-14(20-7-3-6-19-13)9-12(11)16-21(17,18)10-4-1-2-5-10/h8-10,16H,1-7,15H2.
What are the key properties of N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide?
N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide is sourced from PubChem (CID 105360587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).