(9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate

C16H20N2O4S — CID 20817663

IUPAC(9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c3c(c(=O)[nH]c2c1)CCCCCCC3
InChIInChI=1S/C16H20N2O4S/c17-23(20,21)22-11-8-9-13-12-6-4-2-1-3-5-7-14(12)16(19)18-15(13)10-11/h8-10H,1-7H2,(H,18,19)(H2,17,20,21)
InChIKeyWYGGMNQMHCSXNH-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.16
Rot. Bonds2

About (9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate

(9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate (PubChem CID 20817663) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is (9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate.

Molecular Properties

Compound Name(9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate
PubChem CID20817663
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name(9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c3c(c(=O)[nH]c2c1)CCCCCCC3
InChIInChI=1S/C16H20N2O4S/c17-23(20,21)22-11-8-9-13-12-6-4-2-1-3-5-7-14(12)16(19)18-15(13)10-11/h8-10H,1-7H2,(H,18,19)(H2,17,20,21)
InChIKeyWYGGMNQMHCSXNH-UHFFFAOYSA-N
XLogP2.16
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate with MolForge

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Related Compounds

4,7-dihydroxy-3-phenyl-1H-quinolin-2-one
CID 125483873
3-ethyl-4,7-dihydroxy-1H-quinolin-2-one
CID 134815930
2-Oxo-1,2,3,4-tetrahydroquinolin-7-yl trifluoromethanesulfonate
CID 59460789
3,4-Dimethyl-2,7-quinolinediol
CID 5470367
(3,3-Dimethyl-2-oxo-1,4-dihydroquinolin-7-yl) trifluoromethanesulfonate
CID 176434716
7-Hydroxy-4-phenylcarbostyril
CID 13363012
(2-oxo-1H-quinolin-7-yl) trifluoromethanesulfonate
CID 157186428
3-Heptyl-7-methoxy-4-methylcarbostyril
CID 284823
7-methoxy-3,4-dipropyl-1H-quinolin-2-one
CID 11470936
7-Hydroxy-4-methyl-3-(2-propenyl)quinolin-2-one
CID 15531916
[1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium
CID 134852991
(4-butyl-2-oxo-1H-quinolin-7-yl) trifluoromethanesulfonate
CID 52952810

Frequently Asked Questions

What is the IUPAC name of (9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate?
The IUPAC name of (9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate (CID 20817663) is (9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate.
What is the SMILES notation for (9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate?
The canonical SMILES for (9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate is NS(=O)(=O)Oc1ccc2c3c(c(=O)[nH]c2c1)CCCCCCC3.
What is the InChIKey of (9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate?
The InChIKey is WYGGMNQMHCSXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c17-23(20,21)22-11-8-9-13-12-6-4-2-1-3-5-7-14(12)16(19)18-15(13)10-11/h8-10H,1-7H2,(H,18,19)(H2,17,20,21).
What are the key properties of (9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate?
(9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate has a molecular weight of 336.41 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-oxo-8-azatricyclo[8.7.0.02,7]heptadeca-1(10),2(7),3,5-tetraen-5-yl) sulfamate is sourced from PubChem (CID 20817663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).