N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C16H22N2O4S — CID 17455064

IUPACN-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1CCN(C2CC2)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O4S/c19-23(20,14-3-4-15-16(11-14)22-10-9-21-15)17-12-5-7-18(8-6-12)13-1-2-13/h3-4,11-13,17H,1-2,5-10H2
InChIKeyCROXDFZHEMPGAW-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.36
Rot. Bonds4

About N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 17455064) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID17455064
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1CCN(C2CC2)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O4S/c19-23(20,14-3-4-15-16(11-14)22-10-9-21-15)17-12-5-7-18(8-6-12)13-1-2-13/h3-4,11-13,17H,1-2,5-10H2
InChIKeyCROXDFZHEMPGAW-UHFFFAOYSA-N
XLogP1.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 11857791
N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 25243774
N-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 25243785
N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 28811020
N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 6489771
1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 43816542
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110871310
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
N-(1-cyclopropylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61273889
N-(1-cyclopropylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43051431
N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26918874
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)piperidin-1-yl]-N-phenylacetamide
CID 24620947

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 17455064) is N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NC1CCN(C2CC2)CC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is CROXDFZHEMPGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c19-23(20,14-3-4-15-16(11-14)22-10-9-21-15)17-12-5-7-18(8-6-12)13-1-2-13/h3-4,11-13,17H,1-2,5-10H2.
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 17455064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).