11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C17H24N2O3S — CID 7526388

IUPAC11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C17H24N2O3S/c1-3-8-18(9-4-2)23(21,22)15-11-13-5-6-16(20)19-10-7-14(12-15)17(13)19/h11-12H,3-10H2,1-2H3
InChIKeyDOKKEBCAENOAAK-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.33
Rot. Bonds6

About 11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 7526388) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

Compound Name11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
PubChem CID7526388
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C17H24N2O3S/c1-3-8-18(9-4-2)23(21,22)15-11-13-5-6-16(20)19-10-7-14(12-15)17(13)19/h11-12H,3-10H2,1-2H3
InChIKeyDOKKEBCAENOAAK-UHFFFAOYSA-N
XLogP2.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The IUPAC name of 11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 7526388) is 11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
What is the SMILES notation for 11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The canonical SMILES for 11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is CCCN(CCC)S(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2.
What is the InChIKey of 11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The InChIKey is DOKKEBCAENOAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-3-8-18(9-4-2)23(21,22)15-11-13-5-6-16(20)19-10-7-14(12-15)17(13)19/h11-12H,3-10H2,1-2H3.
What are the key properties of 11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-N,N-dipropyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 7526388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).