N-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C15H20N2O3S — CID 7287041

IUPACN-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C15H20N2O3S/c1-10(2)9-16-21(19,20)13-6-11-4-3-5-17-14(18)8-12(7-13)15(11)17/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyXRQVMGWBVJFSHX-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.46
Rot. Bonds4

About N-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

N-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 7287041) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
PubChem CID7287041
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C15H20N2O3S/c1-10(2)9-16-21(19,20)13-6-11-4-3-5-17-14(18)8-12(7-13)15(11)17/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyXRQVMGWBVJFSHX-UHFFFAOYSA-N
XLogP1.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 7287041) is N-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is CC(C)CNS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2.
What is the InChIKey of N-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The InChIKey is XRQVMGWBVJFSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10(2)9-16-21(19,20)13-6-11-4-3-5-17-14(18)8-12(7-13)15(11)17/h6-7,10,16H,3-5,8-9H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
N-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 7287041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).