(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide

C20H23N3O5S — CID 99805629

IUPAC(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C20H23N3O5S/c1-29(25,26)23-10-3-2-6-16(23)20(24)22-19-7-4-5-15(21-19)14-8-9-17-18(13-14)28-12-11-27-17/h4-5,7-9,13,16H,2-3,6,10-12H2,1H3,(H,21,22,24)/t16-/m0/s1
InChIKeyDRMYYEAWUBOWHW-INIZCTEOSA-N
MW417.49 g/mol
LogP2.27
Rot. Bonds4

About (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide

(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 99805629) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID99805629
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C20H23N3O5S/c1-29(25,26)23-10-3-2-6-16(23)20(24)22-19-7-4-5-15(21-19)14-8-9-17-18(13-14)28-12-11-27-17/h4-5,7-9,13,16H,2-3,6,10-12H2,1H3,(H,21,22,24)/t16-/m0/s1
InChIKeyDRMYYEAWUBOWHW-INIZCTEOSA-N
XLogP2.27
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide with MolForge

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Related Compounds

methyl (3S)-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 99805623
(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376221
(2R)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376218
(2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120941450
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide
CID 167960960
1-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 154746744
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093578
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119881889
(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-quinolin-2-ylpyrrolidine-2-carboxamide
CID 95346621
(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3,3-dimethylbutanamide
CID 119881910
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119881915
3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527275

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 99805629) is (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide is CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is DRMYYEAWUBOWHW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-29(25,26)23-10-3-2-6-16(23)20(24)22-19-7-4-5-15(21-19)14-8-9-17-18(13-14)28-12-11-27-17/h4-5,7-9,13,16H,2-3,6,10-12H2,1H3,(H,21,22,24)/t16-/m0/s1.
What are the key properties of (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide?
(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 99805629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).