1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene

C10H16N2O3S — CID 669909

IUPAC1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene
SMILESCOc1ccccc1CNS(=O)(=O)N(C)C
InChIInChI=1S/C10H16N2O3S/c1-12(2)16(13,14)11-8-9-6-4-5-7-10(9)15-3/h4-7,11H,8H2,1-3H3
InChIKeyMFQSSMBOJAOBQS-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.59
Rot. Bonds5

About 1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene

1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene (PubChem CID 669909) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene
PubChem CID669909
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene
SMILESCOc1ccccc1CNS(=O)(=O)N(C)C
InChIInChI=1S/C10H16N2O3S/c1-12(2)16(13,14)11-8-9-6-4-5-7-10(9)15-3/h4-7,11H,8H2,1-3H3
InChIKeyMFQSSMBOJAOBQS-UHFFFAOYSA-N
XLogP0.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene?
The IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene (CID 669909) is 1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene.
What is the SMILES notation for 1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene?
The canonical SMILES for 1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene is COc1ccccc1CNS(=O)(=O)N(C)C.
What is the InChIKey of 1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene?
The InChIKey is MFQSSMBOJAOBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-12(2)16(13,14)11-8-9-6-4-5-7-10(9)15-3/h4-7,11H,8H2,1-3H3.
What are the key properties of 1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene?
1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene has a molecular weight of 244.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylsulfamoylamino)methyl]-2-methoxybenzene is sourced from PubChem (CID 669909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).