5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine

C9H15N3O2S — CID 47215825

IUPAC5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine
SMILESCc1ccc(CNS(=O)(=O)N(C)C)cn1
InChIInChI=1S/C9H15N3O2S/c1-8-4-5-9(6-10-8)7-11-15(13,14)12(2)3/h4-6,11H,7H2,1-3H3
InChIKeyBCOATFLFWOOOTM-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.29
Rot. Bonds4

About 5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine

5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine (PubChem CID 47215825) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine
PubChem CID47215825
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine
SMILESCc1ccc(CNS(=O)(=O)N(C)C)cn1
InChIInChI=1S/C9H15N3O2S/c1-8-4-5-9(6-10-8)7-11-15(13,14)12(2)3/h4-6,11H,7H2,1-3H3
InChIKeyBCOATFLFWOOOTM-UHFFFAOYSA-N
XLogP0.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine?
The IUPAC name of 5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine (CID 47215825) is 5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine.
What is the SMILES notation for 5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine?
The canonical SMILES for 5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine is Cc1ccc(CNS(=O)(=O)N(C)C)cn1.
What is the InChIKey of 5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine?
The InChIKey is BCOATFLFWOOOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-8-4-5-9(6-10-8)7-11-15(13,14)12(2)3/h4-6,11H,7H2,1-3H3.
What are the key properties of 5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine?
5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine has a molecular weight of 229.31 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine is sourced from PubChem (CID 47215825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).