2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide

C12H18N2OS — CID 13154241

IUPAC2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide
SMILESCSCc1cccnc1NC(=O)C(C)(C)C
InChIInChI=1S/C12H18N2OS/c1-12(2,3)11(15)14-10-9(8-16-4)6-5-7-13-10/h5-7H,8H2,1-4H3,(H,13,14,15)
InChIKeyHLXSAUCWJWYZKW-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.93
Rot. Bonds3

About 2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide

2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide (PubChem CID 13154241) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide
PubChem CID13154241
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide
SMILESCSCc1cccnc1NC(=O)C(C)(C)C
InChIInChI=1S/C12H18N2OS/c1-12(2,3)11(15)14-10-9(8-16-4)6-5-7-13-10/h5-7H,8H2,1-4H3,(H,13,14,15)
InChIKeyHLXSAUCWJWYZKW-UHFFFAOYSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
2,2-dimethyl-N-(3-trimethylsilyl-2-pyridinyl)propanamide
CID 15914609
N-isoquinolin-1-yl-2,2-dimethylpropanamide
CID 598735
CID 89491536
CID 89491536
N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-pyridinyl]-2,2-dimethylpropanamide
CID 50917140
3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 63680516
N-[2-[2-(2,2-dimethylpropanoylamino)-N-(2-methylsulfanylethyl)-6-(pyridin-2-ylmethyl)anilino]-3-(pyridin-2-ylmethyl)phenyl]-2,2-dimethylpropanamide
CID 101498557
methyl (2R)-2-[(R)-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-hydroxymethyl]-3,3-dimethylbutanoate
CID 129392250
2,2-dimethyl-N-(2-propan-2-yl-3-pyridinyl)propanamide
CID 178129632
N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide
CID 24911654
2,2-dimethyl-N-[(3-methyl-2-pyridinyl)carbamothioyl]propanamide
CID 17099829
N-[3-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343590

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide (CID 13154241) is 2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide is CSCc1cccnc1NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide?
The InChIKey is HLXSAUCWJWYZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-12(2,3)11(15)14-10-9(8-16-4)6-5-7-13-10/h5-7H,8H2,1-4H3,(H,13,14,15).
What are the key properties of 2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide?
2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide has a molecular weight of 238.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 13154241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).