N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide

C13H19NO4S — CID 21257135

IUPACN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide
SMILESCOc1ccc2c(c1)OC(C)(C)C(NS(C)(=O)=O)C2
InChIInChI=1S/C13H19NO4S/c1-13(2)12(14-19(4,15)16)7-9-5-6-10(17-3)8-11(9)18-13/h5-6,8,12,14H,7H2,1-4H3
InChIKeyRRIQBEPRIKELDB-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.33
Rot. Bonds3

About N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide

N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide (PubChem CID 21257135) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide
PubChem CID21257135
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide
SMILESCOc1ccc2c(c1)OC(C)(C)C(NS(C)(=O)=O)C2
InChIInChI=1S/C13H19NO4S/c1-13(2)12(14-19(4,15)16)7-9-5-6-10(17-3)8-11(9)18-13/h5-6,8,12,14H,7H2,1-4H3
InChIKeyRRIQBEPRIKELDB-UHFFFAOYSA-N
XLogP1.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline
CID 23087080
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 78319340
methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 10703555
6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane]
CID 12036427
N-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetamide
CID 70556870
(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 10686807
(3R)-7-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97121806
(3S)-3-[(dimethylsulfamoylamino)methyl]-7-methoxy-3,4-dihydro-2H-chromene
CID 97124546
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753
(2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran
CID 16726534
3,7-dimethoxy-2,2-dimethyl-3H-chromen-4-one
CID 70492081
lithium (2,2-dimethyl-3H-1-benzofuran-6-yl) sulfate
CID 156503969

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide?
The IUPAC name of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide (CID 21257135) is N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide.
What is the SMILES notation for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide?
The canonical SMILES for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide is COc1ccc2c(c1)OC(C)(C)C(NS(C)(=O)=O)C2.
What is the InChIKey of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide?
The InChIKey is RRIQBEPRIKELDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-13(2)12(14-19(4,15)16)7-9-5-6-10(17-3)8-11(9)18-13/h5-6,8,12,14H,7H2,1-4H3.
What are the key properties of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide?
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)methanesulfonamide is sourced from PubChem (CID 21257135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).