2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide

C11H16N2OS — CID 21151398

IUPAC2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide
SMILESCC(C)CSC(C(N)=O)c1ccccn1
InChIInChI=1S/C11H16N2OS/c1-8(2)7-15-10(11(12)14)9-5-3-4-6-13-9/h3-6,8,10H,7H2,1-2H3,(H2,12,14)
InChIKeyXYCSBOMOCDKGRO-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.00
Rot. Bonds5

About 2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide

2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide (PubChem CID 21151398) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide
PubChem CID21151398
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide
SMILESCC(C)CSC(C(N)=O)c1ccccn1
InChIInChI=1S/C11H16N2OS/c1-8(2)7-15-10(11(12)14)9-5-3-4-6-13-9/h3-6,8,10H,7H2,1-2H3,(H2,12,14)
InChIKeyXYCSBOMOCDKGRO-UHFFFAOYSA-N
XLogP2.00
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride
CID 21151060
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575
(2R)-2-pyridin-2-ylpropanoate
CID 86306983
2-(methylamino)-2-pyridin-2-ylacetamide
CID 82111263
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
lithium 2-pyridin-2-ylpropanoate
CID 175058549
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
[pyridin-2-yl(sulfanyl)methyl] carbamate;hydrochloride
CID 3021537
3,3,3-trifluoro-2-pyridin-2-ylpropanamide
CID 174447442
3-(1-pyridin-2-ylethylamino)butanamide
CID 115572776
1-pyridin-2-ylethyl propanoate
CID 141268318
(2R)-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]propanamide
CID 34156658

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide?
The IUPAC name of 2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide (CID 21151398) is 2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide?
The canonical SMILES for 2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide is CC(C)CSC(C(N)=O)c1ccccn1.
What is the InChIKey of 2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide?
The InChIKey is XYCSBOMOCDKGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(2)7-15-10(11(12)14)9-5-3-4-6-13-9/h3-6,8,10H,7H2,1-2H3,(H2,12,14).
What are the key properties of 2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide?
2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide has a molecular weight of 224.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 21151398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).