N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide

C14H20N2O4S — CID 66195378

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C14H20N2O4S/c1-8-3-4-10(19-2)11(7-8)21(17,18)16-13-12(15)9-5-6-20-14(9)13/h3-4,7,9,12-14,16H,5-6,15H2,1-2H3
InChIKeyJOZPUNAUQKTDJX-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.40
Rot. Bonds4

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 66195378) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID66195378
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C14H20N2O4S/c1-8-3-4-10(19-2)11(7-8)21(17,18)16-13-12(15)9-5-6-20-14(9)13/h3-4,7,9,12-14,16H,5-6,15H2,1-2H3
InChIKeyJOZPUNAUQKTDJX-UHFFFAOYSA-N
XLogP0.40
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 63252483
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-bromo-3-methylbenzenesulfonamide
CID 66196908
N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 129403673
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide
CID 66197296
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 66212908
N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 72938812
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 114631537
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4,6-difluorobenzenesulfonamide
CID 66196344
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393332
N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 106737938
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide (CID 66195378) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NC1C(N)C2CCOC21.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is JOZPUNAUQKTDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-8-3-4-10(19-2)11(7-8)21(17,18)16-13-12(15)9-5-6-20-14(9)13/h3-4,7,9,12-14,16H,5-6,15H2,1-2H3.
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 66195378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).