N-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide

C16H22N2O4S — CID 89093773

IUPACN-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide
SMILESCC(C)CN(CCCN)S(=O)(=O)c1ccc2occc(=O)c2c1
InChIInChI=1S/C16H22N2O4S/c1-12(2)11-18(8-3-7-17)23(20,21)13-4-5-16-14(10-13)15(19)6-9-22-16/h4-6,9-10,12H,3,7-8,11,17H2,1-2H3
InChIKeyAOVBFLOZNAGURI-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.79
Rot. Bonds7

About N-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide

N-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide (PubChem CID 89093773) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide
PubChem CID89093773
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide
SMILESCC(C)CN(CCCN)S(=O)(=O)c1ccc2occc(=O)c2c1
InChIInChI=1S/C16H22N2O4S/c1-12(2)11-18(8-3-7-17)23(20,21)13-4-5-16-14(10-13)15(19)6-9-22-16/h4-6,9-10,12H,3,7-8,11,17H2,1-2H3
InChIKeyAOVBFLOZNAGURI-UHFFFAOYSA-N
XLogP1.79
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide (CID 89093773) is N-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide is CC(C)CN(CCCN)S(=O)(=O)c1ccc2occc(=O)c2c1.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide?
The InChIKey is AOVBFLOZNAGURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-12(2)11-18(8-3-7-17)23(20,21)13-4-5-16-14(10-13)15(19)6-9-22-16/h4-6,9-10,12H,3,7-8,11,17H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide?
N-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide is sourced from PubChem (CID 89093773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).