1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene

C12H20N2O3S — CID 110780838

IUPAC1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene
SMILESCOc1cc(C)c(CNS(=O)(=O)N(C)C)cc1C
InChIInChI=1S/C12H20N2O3S/c1-9-7-12(17-5)10(2)6-11(9)8-13-18(15,16)14(3)4/h6-7,13H,8H2,1-5H3
InChIKeyTWAGOENVSMTFRJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.21
Rot. Bonds5

About 1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene

1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene (PubChem CID 110780838) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene
PubChem CID110780838
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene
SMILESCOc1cc(C)c(CNS(=O)(=O)N(C)C)cc1C
InChIInChI=1S/C12H20N2O3S/c1-9-7-12(17-5)10(2)6-11(9)8-13-18(15,16)14(3)4/h6-7,13H,8H2,1-5H3
InChIKeyTWAGOENVSMTFRJ-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene
CID 35606173
2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene
CID 110780219
5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene
CID 35313454
N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide
CID 110783168
[(4-methoxy-2,5-dimethylphenyl)methylamino]methanethiol
CID 115227904
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide
CID 110781255
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044002
methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate
CID 115232862
1-[(4-methoxy-2,5-dimethylphenyl)methylamino]propan-2-one
CID 115234701
(3S,4R)-3-(dimethylsulfamoylamino)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-propan-2-ylpyrrolidine
CID 72931510
3-[(dimethylsulfamoylamino)methyl]-1,2,4,5-tetramethylbenzene
CID 110780927
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-oxobutanamide
CID 115176376

Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene?
The IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene (CID 110780838) is 1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene.
What is the SMILES notation for 1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene?
The canonical SMILES for 1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene is COc1cc(C)c(CNS(=O)(=O)N(C)C)cc1C.
What is the InChIKey of 1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene?
The InChIKey is TWAGOENVSMTFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9-7-12(17-5)10(2)6-11(9)8-13-18(15,16)14(3)4/h6-7,13H,8H2,1-5H3.
What are the key properties of 1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene?
1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene has a molecular weight of 272.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene is sourced from PubChem (CID 110780838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).