dimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane

C14H16N2O3S2 — CID 167919761

IUPACdimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane
SMILESCS(=O)(=O)c1cccc(-c2ccc(N=S(C)(C)=O)cn2)c1
InChIInChI=1S/C14H16N2O3S2/c1-20(2,17)16-12-7-8-14(15-10-12)11-5-4-6-13(9-11)21(3,18)19/h4-10H,1-3H3
InChIKeyQJNOPCSRWUTGRN-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.51
Rot. Bonds3

About dimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane

dimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane (PubChem CID 167919761) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is dimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane.

Molecular Properties

Compound Namedimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane
PubChem CID167919761
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Namedimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane
SMILESCS(=O)(=O)c1cccc(-c2ccc(N=S(C)(C)=O)cn2)c1
InChIInChI=1S/C14H16N2O3S2/c1-20(2,17)16-12-7-8-14(15-10-12)11-5-4-6-13(9-11)21(3,18)19/h4-10H,1-3H3
InChIKeyQJNOPCSRWUTGRN-UHFFFAOYSA-N
XLogP2.51
TPSA76.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 731623
CID 731623
CID 757406
CID 757406
CID 571666
CID 571666
CID 46937403
CID 46937403
CID 842946
CID 842946
CID 901953
CID 901953
CID 747990
CID 747990
CID 775793
CID 775793
CID 802068
CID 802068
CID 802156
CID 802156
CID 697901
CID 697901
CID 9926659
CID 9926659

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane?
The IUPAC name of dimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane (CID 167919761) is dimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane.
What is the SMILES notation for dimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane?
The canonical SMILES for dimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane is CS(=O)(=O)c1cccc(-c2ccc(N=S(C)(C)=O)cn2)c1.
What is the InChIKey of dimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane?
The InChIKey is QJNOPCSRWUTGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-20(2,17)16-12-7-8-14(15-10-12)11-5-4-6-13(9-11)21(3,18)19/h4-10H,1-3H3.
What are the key properties of dimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane?
dimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane has a molecular weight of 324.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane is sourced from PubChem (CID 167919761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).