N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine

C16H25NO4S — CID 57258878

IUPACN-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCS(=O)(=O)CCNC1CC(C)(C)Oc2cc(OC)ccc21
InChIInChI=1S/C16H25NO4S/c1-5-22(18,19)9-8-17-14-11-16(2,3)21-15-10-12(20-4)6-7-13(14)15/h6-7,10,14,17H,5,8-9,11H2,1-4H3
InChIKeyQDLDKKTUBUQMBK-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.32
Rot. Bonds6

About N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine

N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 57258878) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID57258878
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC NameN-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCS(=O)(=O)CCNC1CC(C)(C)Oc2cc(OC)ccc21
InChIInChI=1S/C16H25NO4S/c1-5-22(18,19)9-8-17-14-11-16(2,3)21-15-10-12(20-4)6-7-13(14)15/h6-7,10,14,17H,5,8-9,11H2,1-4H3
InChIKeyQDLDKKTUBUQMBK-UHFFFAOYSA-N
XLogP2.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
7-(methoxymethoxy)-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 65365816
7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82461942
1-ethylsulfonyl-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 132663641
6-methoxy-2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydrochromen-4-amine
CID 82461976
7-but-2-ynoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 62311714
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxyphenoxy)butanamide
CID 132661085
N-ethyl-7-methoxy-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114710986
N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462754
2-(4-ethoxy-N-methylsulfonylanilino)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43895641
methyl 5-[(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-2-methylbenzoate
CID 133202226
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 133210399

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 57258878) is N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine is CCS(=O)(=O)CCNC1CC(C)(C)Oc2cc(OC)ccc21.
What is the InChIKey of N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is QDLDKKTUBUQMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-5-22(18,19)9-8-17-14-11-16(2,3)21-15-10-12(20-4)6-7-13(14)15/h6-7,10,14,17H,5,8-9,11H2,1-4H3.
What are the key properties of N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine?
N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 327.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 57258878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).