N-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide

C15H22N2OS — CID 2343430

IUPACN-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide
SMILESCCN(C(=O)CSc1ccccn1)C1CCCCC1
InChIInChI=1S/C15H22N2OS/c1-2-17(13-8-4-3-5-9-13)15(18)12-19-14-10-6-7-11-16-14/h6-7,10-11,13H,2-5,8-9,12H2,1H3
InChIKeyQHUCBULFEYMSAL-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.35
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide

N-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2343430) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide
PubChem CID2343430
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide
SMILESCCN(C(=O)CSc1ccccn1)C1CCCCC1
InChIInChI=1S/C15H22N2OS/c1-2-17(13-8-4-3-5-9-13)15(18)12-19-14-10-6-7-11-16-14/h6-7,10-11,13H,2-5,8-9,12H2,1H3
InChIKeyQHUCBULFEYMSAL-UHFFFAOYSA-N
XLogP3.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide (CID 2343430) is N-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide is CCN(C(=O)CSc1ccccn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is QHUCBULFEYMSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-17(13-8-4-3-5-9-13)15(18)12-19-14-10-6-7-11-16-14/h6-7,10-11,13H,2-5,8-9,12H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide?
N-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 278.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2343430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).