ethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate

C11H15N3O5S — CID 15545185

IUPACethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C
InChIInChI=1S/C11H15N3O5S/c1-4-19-11(16)13-20(17,18)9-8(6-5-7-12-9)10(15)14(2)3/h5-7H,4H2,1-3H3,(H,13,16)
InChIKeyZXPKRPDKCIKQOF-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.22
Rot. Bonds4

About ethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate

ethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate (PubChem CID 15545185) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is ethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate
PubChem CID15545185
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Nameethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C
InChIInChI=1S/C11H15N3O5S/c1-4-19-11(16)13-20(17,18)9-8(6-5-7-12-9)10(15)14(2)3/h5-7H,4H2,1-3H3,(H,13,16)
InChIKeyZXPKRPDKCIKQOF-UHFFFAOYSA-N
XLogP0.22
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate?
The IUPAC name of ethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate (CID 15545185) is ethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate.
What is the SMILES notation for ethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate?
The canonical SMILES for ethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate is CCOC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C.
What is the InChIKey of ethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate?
The InChIKey is ZXPKRPDKCIKQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-4-19-11(16)13-20(17,18)9-8(6-5-7-12-9)10(15)14(2)3/h5-7H,4H2,1-3H3,(H,13,16).
What are the key properties of ethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate?
ethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate has a molecular weight of 301.32 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate is sourced from PubChem (CID 15545185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).