N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide

C14H16N2O4S — CID 62664267

IUPACN-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCCNC3CC3)ccc2o1
InChIInChI=1S/C14H16N2O4S/c17-14-6-1-10-9-12(4-5-13(10)20-14)21(18,19)16-8-7-15-11-2-3-11/h1,4-6,9,11,15-16H,2-3,7-8H2
InChIKeyLCRCFRFNHPYVNU-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.82
Rot. Bonds6

About N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide

N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide (PubChem CID 62664267) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide
PubChem CID62664267
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCCNC3CC3)ccc2o1
InChIInChI=1S/C14H16N2O4S/c17-14-6-1-10-9-12(4-5-13(10)20-14)21(18,19)16-8-7-15-11-2-3-11/h1,4-6,9,11,15-16H,2-3,7-8H2
InChIKeyLCRCFRFNHPYVNU-UHFFFAOYSA-N
XLogP0.82
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 119973429
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
CID 134002341
N-[2-[(2R)-2-methylpiperidin-1-yl]sulfonylethyl]-2-oxochromene-6-sulfonamide
CID 51593029
N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide
CID 107319443
2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide
CID 172906846
N-(3-hydroxybutyl)-2-oxochromene-6-sulfonamide
CID 64910819
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide
CID 24677976
2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride
CID 120721014
2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide
CID 32955601
2-oxo-N-piperidin-4-ylchromene-6-sulfonamide
CID 43603317
2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
CID 24677933
N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide
CID 87024847

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide (CID 62664267) is N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)NCCNC3CC3)ccc2o1.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide?
The InChIKey is LCRCFRFNHPYVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-14-6-1-10-9-12(4-5-13(10)20-14)21(18,19)16-8-7-15-11-2-3-11/h1,4-6,9,11,15-16H,2-3,7-8H2.
What are the key properties of N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide?
N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 62664267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).