N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C15H20N2O6S — CID 97437904

IUPACN-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCS(=O)(=O)N1CCO[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C15H20N2O6S/c1-24(19,20)17-4-5-21-12(10-17)9-16-15(18)11-2-3-13-14(8-11)23-7-6-22-13/h2-3,8,12H,4-7,9-10H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyCNZXNMLHAYXRIK-LBPRGKRZSA-N
MW356.40 g/mol
LogP-0.15
Rot. Bonds4

About N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 97437904) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID97437904
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC NameN-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCS(=O)(=O)N1CCO[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C15H20N2O6S/c1-24(19,20)17-4-5-21-12(10-17)9-16-15(18)11-2-3-13-14(8-11)23-7-6-22-13/h2-3,8,12H,4-7,9-10H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyCNZXNMLHAYXRIK-LBPRGKRZSA-N
XLogP-0.15
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide with MolForge

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Related Compounds

2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 99938799
3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 72894552
N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
CID 74237959
N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide
CID 125161188
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97146965
1-(6-methoxy-1,3-benzodioxol-5-yl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 97270309
N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39212067
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 110866984
2-(2,3-dihydro-1H-inden-2-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]acetamide
CID 124754537
2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 99927603
2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 77079880
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 97437904) is N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CS(=O)(=O)N1CCO[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is CNZXNMLHAYXRIK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-24(19,20)17-4-5-21-12(10-17)9-16-15(18)11-2-3-13-14(8-11)23-7-6-22-13/h2-3,8,12H,4-7,9-10H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 356.40 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 97437904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).