N-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C17H26N2O4S — CID 164695255

IUPACN-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCN(C)C1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H26N2O4S/c1-19(2)14-5-3-13(4-6-14)12-18-24(20,21)15-7-8-16-17(11-15)23-10-9-22-16/h7-8,11,13-14,18H,3-6,9-10,12H2,1-2H3
InChIKeyNHNWBFNSLYRAJB-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.86
Rot. Bonds5

About N-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 164695255) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID164695255
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCN(C)C1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H26N2O4S/c1-19(2)14-5-3-13(4-6-14)12-18-24(20,21)15-7-8-16-17(11-15)23-10-9-22-16/h7-8,11,13-14,18H,3-6,9-10,12H2,1-2H3
InChIKeyNHNWBFNSLYRAJB-UHFFFAOYSA-N
XLogP1.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16887535
N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47203478
N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 157267922
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 90485725
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9191342
N-[3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5176418
N-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 801583
N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 811934
N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 56921270
N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 63299069
N-(2-propan-2-yloxyethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110602848
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7510289

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 164695255) is N-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CN(C)C1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of N-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is NHNWBFNSLYRAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-19(2)14-5-3-13(4-6-14)12-18-24(20,21)15-7-8-16-17(11-15)23-10-9-22-16/h7-8,11,13-14,18H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 164695255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).