N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide

C15H18N2O4S — CID 120724998

IUPACN-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide
SMILESCC1CNCCC1NS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H18N2O4S/c1-10-9-16-7-6-13(10)17-22(19,20)12-3-4-14-11(8-12)2-5-15(18)21-14/h2-5,8,10,13,16-17H,6-7,9H2,1H3
InChIKeyNEDRSPRMENFVKN-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.07
Rot. Bonds3

About N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide

N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide (PubChem CID 120724998) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide
PubChem CID120724998
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide
SMILESCC1CNCCC1NS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H18N2O4S/c1-10-9-16-7-6-13(10)17-22(19,20)12-3-4-14-11(8-12)2-5-15(18)21-14/h2-5,8,10,13,16-17H,6-7,9H2,1H3
InChIKeyNEDRSPRMENFVKN-UHFFFAOYSA-N
XLogP1.07
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.07
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

2-oxo-N-piperidin-4-ylchromene-6-sulfonamide
CID 43603317
2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride
CID 120721014
N-[(3R,4S)-3-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 124516960
N-[(3aR,5S,6S,7aS)-6-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 172912664
3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725299
2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride
CID 119968249
N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 120724798
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724850

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide (CID 120724998) is N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide is CC1CNCCC1NS(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide?
The InChIKey is NEDRSPRMENFVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10-9-16-7-6-13(10)17-22(19,20)12-3-4-14-11(8-12)2-5-15(18)21-14/h2-5,8,10,13,16-17H,6-7,9H2,1H3.
What are the key properties of N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide?
N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide has a molecular weight of 322.39 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 120724998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).