ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate

C16H26N2O2S — CID 102925731

IUPACethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate
SMILESCCNC(C)(CCSc1cc(C)cc(C)n1)C(=O)OCC
InChIInChI=1S/C16H26N2O2S/c1-6-17-16(5,15(19)20-7-2)8-9-21-14-11-12(3)10-13(4)18-14/h10-11,17H,6-9H2,1-5H3
InChIKeySXCRSQXPPBHUJR-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.11
Rot. Bonds8

About ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate

ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate (PubChem CID 102925731) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate
PubChem CID102925731
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Nameethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate
SMILESCCNC(C)(CCSc1cc(C)cc(C)n1)C(=O)OCC
InChIInChI=1S/C16H26N2O2S/c1-6-17-16(5,15(19)20-7-2)8-9-21-14-11-12(3)10-13(4)18-14/h10-11,17H,6-9H2,1-5H3
InChIKeySXCRSQXPPBHUJR-UHFFFAOYSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate with MolForge

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Related Compounds

4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide
CID 102925687
methyl 2-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylbutanoate
CID 102925738
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide
CID 102925766
methyl 2-(ethylamino)-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutanoate
CID 65040923
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine
CID 102925316
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide
CID 102926020
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102924478
methyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(propylamino)butanoate
CID 102925808
2-amino-5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpentan-1-ol
CID 102926705
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide
CID 55057563
2-(cyclopropylamino)-5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylpentanoic acid
CID 102925774
ethyl 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(propylamino)propanoate
CID 102925707

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate?
The IUPAC name of ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate (CID 102925731) is ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate.
What is the SMILES notation for ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate?
The canonical SMILES for ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate is CCNC(C)(CCSc1cc(C)cc(C)n1)C(=O)OCC.
What is the InChIKey of ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate?
The InChIKey is SXCRSQXPPBHUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-6-17-16(5,15(19)20-7-2)8-9-21-14-11-12(3)10-13(4)18-14/h10-11,17H,6-9H2,1-5H3.
What are the key properties of ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate?
ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate has a molecular weight of 310.46 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate is sourced from PubChem (CID 102925731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).