N-cyclopropylphenoxathiine-3-carboxamide

C16H13NO2S — CID 10684392

IUPACN-cyclopropylphenoxathiine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)Oc1ccccc1S2
InChIInChI=1S/C16H13NO2S/c18-16(17-11-6-7-11)10-5-8-15-13(9-10)19-12-3-1-2-4-14(12)20-15/h1-5,8-9,11H,6-7H2,(H,17,18)
InChIKeyMOPVUTLLILJFCI-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.84
Rot. Bonds2

About N-cyclopropylphenoxathiine-3-carboxamide

N-cyclopropylphenoxathiine-3-carboxamide (PubChem CID 10684392) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-cyclopropylphenoxathiine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropylphenoxathiine-3-carboxamide
PubChem CID10684392
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC NameN-cyclopropylphenoxathiine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)Oc1ccccc1S2
InChIInChI=1S/C16H13NO2S/c18-16(17-11-6-7-11)10-5-8-15-13(9-10)19-12-3-1-2-4-14(12)20-15/h1-5,8-9,11H,6-7H2,(H,17,18)
InChIKeyMOPVUTLLILJFCI-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 4577044
5-benzyl-N-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 5142419
1-phenoxathiin-3-ylpropan-2-one
CID 170962593
(3S)-2-[2-(phenoxathiine-3-carbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carboxylic acid
CID 170962719
4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide
CID 129113636
2-benzylidene-N-cyclopropyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3273973
(2Z)-2-benzylidene-N-cyclopropyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 45105242
N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 71643856
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
(3-oxo-3-phenoxathiin-2-yl-1-phenylpropyl) N-cyclohexylcarbamodithioate
CID 46177549
5-benzyl-N-cyclooctyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 5142267
N-cyclooctyl-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide
CID 4097900

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylphenoxathiine-3-carboxamide?
The IUPAC name of N-cyclopropylphenoxathiine-3-carboxamide (CID 10684392) is N-cyclopropylphenoxathiine-3-carboxamide.
What is the SMILES notation for N-cyclopropylphenoxathiine-3-carboxamide?
The canonical SMILES for N-cyclopropylphenoxathiine-3-carboxamide is O=C(NC1CC1)c1ccc2c(c1)Oc1ccccc1S2.
What is the InChIKey of N-cyclopropylphenoxathiine-3-carboxamide?
The InChIKey is MOPVUTLLILJFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c18-16(17-11-6-7-11)10-5-8-15-13(9-10)19-12-3-1-2-4-14(12)20-15/h1-5,8-9,11H,6-7H2,(H,17,18).
What are the key properties of N-cyclopropylphenoxathiine-3-carboxamide?
N-cyclopropylphenoxathiine-3-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylphenoxathiine-3-carboxamide is sourced from PubChem (CID 10684392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).