N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C15H20N2O3S — CID 63922749

IUPACN-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NC1CCCS(=O)(=O)C1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H20N2O3S/c18-15(17-13-4-2-8-21(19,20)10-13)12-5-6-14-11(9-12)3-1-7-16-14/h5-6,9,13,16H,1-4,7-8,10H2,(H,17,18)
InChIKeyTVWRYSITPLKGNC-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.35
Rot. Bonds2

About N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 63922749) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID63922749
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NC1CCCS(=O)(=O)C1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H20N2O3S/c18-15(17-13-4-2-8-21(19,20)10-13)12-5-6-14-11(9-12)3-1-7-16-14/h5-6,9,13,16H,1-4,7-8,10H2,(H,17,18)
InChIKeyTVWRYSITPLKGNC-UHFFFAOYSA-N
XLogP1.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43696101
N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797791
N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413
N-(2-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 62360933
N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide
CID 63921781
3-bromo-N-[(3R)-1,1-dioxothian-3-yl]benzamide
CID 95264332
3-cyano-N-(1,1-dioxothian-3-yl)benzamide
CID 63922155
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106135432
N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81389029
N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615050

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 63922749) is N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is O=C(NC1CCCS(=O)(=O)C1)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is TVWRYSITPLKGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-15(17-13-4-2-8-21(19,20)10-13)12-5-6-14-11(9-12)3-1-7-16-14/h5-6,9,13,16H,1-4,7-8,10H2,(H,17,18).
What are the key properties of N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 63922749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).