N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide

C15H19NO6S — CID 136535901

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide
SMILESCOC1(C(=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C15H19NO6S/c1-20-15(6-2-3-7-15)14(17)16-23(18,19)11-4-5-12-13(10-11)22-9-8-21-12/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyBGNYJBLJGOKALJ-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.22
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide (PubChem CID 136535901) has the molecular formula C15H19NO6S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide
PubChem CID136535901
Molecular FormulaC15H19NO6S
Molecular Weight341.39 g/mol
Exact Mass341.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide
SMILESCOC1(C(=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C15H19NO6S/c1-20-15(6-2-3-7-15)14(17)16-23(18,19)11-4-5-12-13(10-11)22-9-8-21-12/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyBGNYJBLJGOKALJ-UHFFFAOYSA-N
XLogP1.22
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide
CID 75403568
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide
CID 75403977
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid
CID 3963804
N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 115903149
(2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-prop-2-enoxypropanamide
CID 95270031
methyl 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 1090640
N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 115753938
1-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450101
(3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3-methylhexanamide
CID 95595327
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-methoxypropanoic acid
CID 104936736
3-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)but-2-enamide
CID 126802014
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate
CID 115232740

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide (CID 136535901) is N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide is COC1(C(=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)CCCC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide?
The InChIKey is BGNYJBLJGOKALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6S/c1-20-15(6-2-3-7-15)14(17)16-23(18,19)11-4-5-12-13(10-11)22-9-8-21-12/h4-5,10H,2-3,6-9H2,1H3,(H,16,17).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methoxycyclopentane-1-carboxamide is sourced from PubChem (CID 136535901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).