(3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide

C16H24N2O4S — CID 94021508

IUPAC(3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C16H24N2O4S/c1-13-3-2-8-18(12-13)23(19,20)17-7-6-14-4-5-15-16(11-14)22-10-9-21-15/h4-5,11,13,17H,2-3,6-10,12H2,1H3/t13-/m1/s1
InChIKeyRPPYPOIUSXVOKI-CYBMUJFWSA-N
MW340.45 g/mol
LogP1.57
Rot. Bonds5

About (3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide

(3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 94021508) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is (3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide
PubChem CID94021508
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name(3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C16H24N2O4S/c1-13-3-2-8-18(12-13)23(19,20)17-7-6-14-4-5-15-16(11-14)22-10-9-21-15/h4-5,11,13,17H,2-3,6-10,12H2,1H3/t13-/m1/s1
InChIKeyRPPYPOIUSXVOKI-CYBMUJFWSA-N
XLogP1.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389
(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35431016
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 71997194
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide
CID 56798893
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclohexan-1-amine
CID 43178290
2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 94809275
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 47165000
2-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ethanesulfonamide
CID 113220739
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81295796

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide (CID 94021508) is (3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide is C[C@@H]1CCCN(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)C1.
What is the InChIKey of (3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is RPPYPOIUSXVOKI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-13-3-2-8-18(12-13)23(19,20)17-7-6-14-4-5-15-16(11-14)22-10-9-21-15/h4-5,11,13,17H,2-3,6-10,12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
(3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 94021508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).