(2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide

C15H16N2O3S — CID 97352020

IUPAC(2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)[C@@H]1CCCCS1(=O)=O
InChIInChI=1S/C15H16N2O3S/c18-15(13-8-1-2-10-21(13,19)20)17-12-7-3-5-11-6-4-9-16-14(11)12/h3-7,9,13H,1-2,8,10H2,(H,17,18)/t13-/m0/s1
InChIKeyFLTVDBGITBZBBB-ZDUSSCGKSA-N
MW304.37 g/mol
LogP2.14
Rot. Bonds2

About (2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide

(2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide (PubChem CID 97352020) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide.

Molecular Properties

Compound Name(2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide
PubChem CID97352020
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)[C@@H]1CCCCS1(=O)=O
InChIInChI=1S/C15H16N2O3S/c18-15(13-8-1-2-10-21(13,19)20)17-12-7-3-5-11-6-4-9-16-14(11)12/h3-7,9,13H,1-2,8,10H2,(H,17,18)/t13-/m0/s1
InChIKeyFLTVDBGITBZBBB-ZDUSSCGKSA-N
XLogP2.14
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
N-quinolin-8-ylpiperidine-2-carboxamide
CID 18071566
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109140873
cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 177490344
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
1-(1,1-dioxothiolan-3-yl)-3-quinolin-8-ylurea
CID 47032833
2-(pyrrolidine-1-carbonyl)-N-quinolin-8-ylcyclopropane-1-carboxamide
CID 109131957
1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109144099

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide?
The IUPAC name of (2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide (CID 97352020) is (2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide.
What is the SMILES notation for (2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide?
The canonical SMILES for (2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide is O=C(Nc1cccc2cccnc12)[C@@H]1CCCCS1(=O)=O.
What is the InChIKey of (2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide?
The InChIKey is FLTVDBGITBZBBB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-15(13-8-1-2-10-21(13,19)20)17-12-7-3-5-11-6-4-9-16-14(11)12/h3-7,9,13H,1-2,8,10H2,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide?
(2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-dioxo-N-quinolin-8-ylthiane-2-carboxamide is sourced from PubChem (CID 97352020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).