N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C17H26N2O4S — CID 16887535

IUPACN-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H26N2O4S/c1-13(2)19-7-5-14(6-8-19)12-18-24(20,21)15-3-4-16-17(11-15)23-10-9-22-16/h3-4,11,13-14,18H,5-10,12H2,1-2H3
InChIKeyBIBOMRHTIUYWJW-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.86
Rot. Bonds5

About N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 16887535) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID16887535
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C17H26N2O4S/c1-13(2)19-7-5-14(6-8-19)12-18-24(20,21)15-3-4-16-17(11-15)23-10-9-22-16/h3-4,11,13-14,18H,5-10,12H2,1-2H3
InChIKeyBIBOMRHTIUYWJW-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-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

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-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 164695255
N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47203478
4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887580
N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 56921270
4-nitro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887533
3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887576
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978298
N-(2-propan-2-yloxyethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110602848
3-bromo-4-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 106611017
N-(3-bromobutyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113271819
N-(3-amino-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55102421

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 16887535) is N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CC(C)N1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is BIBOMRHTIUYWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13(2)19-7-5-14(6-8-19)12-18-24(20,21)15-3-4-16-17(11-15)23-10-9-22-16/h3-4,11,13-14,18H,5-10,12H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[(1-propan-2-ylpiperidin-4-yl)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-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 16887535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).