1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene

C10H16N2O2S — CID 35383494

IUPAC1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene
SMILESCc1cccc(CNS(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H16N2O2S/c1-9-5-4-6-10(7-9)8-11-15(13,14)12(2)3/h4-7,11H,8H2,1-3H3
InChIKeyKSHMVNIVXBVPRZ-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.89
Rot. Bonds4

About 1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene

1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene (PubChem CID 35383494) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene
PubChem CID35383494
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene
SMILESCc1cccc(CNS(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H16N2O2S/c1-9-5-4-6-10(7-9)8-11-15(13,14)12(2)3/h4-7,11H,8H2,1-3H3
InChIKeyKSHMVNIVXBVPRZ-UHFFFAOYSA-N
XLogP0.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene
CID 61018712
1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 66917095
N-[(3-methylphenyl)methyl]cyclopropanesulfonamide
CID 118928947
2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine
CID 113026646
3-bromo-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 61072677
N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
CID 92672631
1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene
CID 115753679
3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60902763
3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 30788428
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 62146693

Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene?
The IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene (CID 35383494) is 1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene.
What is the SMILES notation for 1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene?
The canonical SMILES for 1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene is Cc1cccc(CNS(=O)(=O)N(C)C)c1.
What is the InChIKey of 1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene?
The InChIKey is KSHMVNIVXBVPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-9-5-4-6-10(7-9)8-11-15(13,14)12(2)3/h4-7,11H,8H2,1-3H3.
What are the key properties of 1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene?
1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene has a molecular weight of 228.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene is sourced from PubChem (CID 35383494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).