2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide

C12H19N3OS — CID 114234591

IUPAC2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide
SMILESCCNc1cc(CSCC(=O)N(C)C)ccn1
InChIInChI=1S/C12H19N3OS/c1-4-13-11-7-10(5-6-14-11)8-17-9-12(16)15(2)3/h5-7H,4,8-9H2,1-3H3,(H,13,14)
InChIKeyCYTHLGKSOKNABQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.83
Rot. Bonds6

About 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide

2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide (PubChem CID 114234591) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide
PubChem CID114234591
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide
SMILESCCNc1cc(CSCC(=O)N(C)C)ccn1
InChIInChI=1S/C12H19N3OS/c1-4-13-11-7-10(5-6-14-11)8-17-9-12(16)15(2)3/h5-7H,4,8-9H2,1-3H3,(H,13,14)
InChIKeyCYTHLGKSOKNABQ-UHFFFAOYSA-N
XLogP1.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide (CID 114234591) is 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide is CCNc1cc(CSCC(=O)N(C)C)ccn1.
What is the InChIKey of 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide?
The InChIKey is CYTHLGKSOKNABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-13-11-7-10(5-6-14-11)8-17-9-12(16)15(2)3/h5-7H,4,8-9H2,1-3H3,(H,13,14).
What are the key properties of 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide?
2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide has a molecular weight of 253.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 114234591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).