N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide

C15H20N2O4S — CID 119992924

IUPACN-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H20N2O4S/c1-2-3-4-12(10-16)17-22(19,20)13-6-7-14-11(9-13)5-8-15(18)21-14/h5-9,12,17H,2-4,10,16H2,1H3
InChIKeySVUCLBWPZRETFX-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.59
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide

N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide (PubChem CID 119992924) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide
PubChem CID119992924
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H20N2O4S/c1-2-3-4-12(10-16)17-22(19,20)13-6-7-14-11(9-13)5-8-15(18)21-14/h5-9,12,17H,2-4,10,16H2,1H3
InChIKeySVUCLBWPZRETFX-UHFFFAOYSA-N
XLogP1.59
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide
CID 134002352
5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119993235
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide
CID 134062008
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
CID 119993373
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 80697633
4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119993234
N-(3-hydroxybutyl)-2-oxochromene-6-sulfonamide
CID 64910819
N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride
CID 119993347

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide (CID 119992924) is N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide is CCCCC(CN)NS(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide?
The InChIKey is SVUCLBWPZRETFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-2-3-4-12(10-16)17-22(19,20)13-6-7-14-11(9-13)5-8-15(18)21-14/h5-9,12,17H,2-4,10,16H2,1H3.
What are the key properties of N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide?
N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide has a molecular weight of 324.40 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 119992924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).