N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide

C14H17NO3S — CID 110863351

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CCCCS1
InChIInChI=1S/C14H17NO3S/c16-14(13-3-1-2-8-19-13)15-10-4-5-11-12(9-10)18-7-6-17-11/h4-5,9,13H,1-3,6-8H2,(H,15,16)
InChIKeyFFUUXIVIQKMNQF-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.68
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide (PubChem CID 110863351) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide
PubChem CID110863351
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CCCCS1
InChIInChI=1S/C14H17NO3S/c16-14(13-3-1-2-8-19-13)15-10-4-5-11-12(9-10)18-7-6-17-11/h4-5,9,13H,1-3,6-8H2,(H,15,16)
InChIKeyFFUUXIVIQKMNQF-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6926407
2-hydroxy-5-(thiane-2-carbonylamino)benzoic acid
CID 80593678
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 757856
N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 24708049
trans-(1S,2S)-1-N,2-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 11881118
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
CID 119669203
N-[4-(hydroxymethyl)phenyl]thiane-2-carboxamide
CID 80595530
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146056
4-(azepane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxamide
CID 109150262
(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide
CID 9451672
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 42941692

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide (CID 110863351) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)C1CCCCS1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide?
The InChIKey is FFUUXIVIQKMNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c16-14(13-3-1-2-8-19-13)15-10-4-5-11-12(9-10)18-7-6-17-11/h4-5,9,13H,1-3,6-8H2,(H,15,16).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiane-2-carboxamide is sourced from PubChem (CID 110863351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).