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

C14H23N3OS — CID 102925687

IUPAC4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide
SMILESCCNC(C)(CCSc1cc(C)cc(C)n1)C(N)=O
InChIInChI=1S/C14H23N3OS/c1-5-16-14(4,13(15)18)6-7-19-12-9-10(2)8-11(3)17-12/h8-9,16H,5-7H2,1-4H3,(H2,15,18)
InChIKeyKPLTXBJADGZVPK-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.03
Rot. Bonds7

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

4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide (PubChem CID 102925687) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide
PubChem CID102925687
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide
SMILESCCNC(C)(CCSc1cc(C)cc(C)n1)C(N)=O
InChIInChI=1S/C14H23N3OS/c1-5-16-14(4,13(15)18)6-7-19-12-9-10(2)8-11(3)17-12/h8-9,16H,5-7H2,1-4H3,(H2,15,18)
InChIKeyKPLTXBJADGZVPK-UHFFFAOYSA-N
XLogP2.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
CID 728675
N-tert-butyl-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamide
CID 713770
6-Isobutylsulfanyl-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105714
2-((3-Cyano-4,6-dimethylpyridin-2-yl)thio)acetamide
CID 753803
2-((3-Cyano-4,6-dimethylpyridin-2-yl)thio)-N-cyclopropylacetamide
CID 657916
2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-methylacetamide
CID 5308693
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-2-{6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-1-YL}acetamide
CID 5308728
2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-cyclohexylacetamide
CID 719030
3-((3-cyano-4,6-dimethylpyridin-2-yl)thio)-N-phenethylpropanamide
CID 852229
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)acetamide
CID 2348677
2-{6,8-Dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-1-YL}-N-ethylacetamide
CID 6625480
2-{6,8-Dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-1-YL}-N-(propan-2-YL)acetamide
CID 20890131

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide?
The IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide (CID 102925687) is 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide.
What is the SMILES notation for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide?
The canonical SMILES for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide is CCNC(C)(CCSc1cc(C)cc(C)n1)C(N)=O.
What is the InChIKey of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide?
The InChIKey is KPLTXBJADGZVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-5-16-14(4,13(15)18)6-7-19-12-9-10(2)8-11(3)17-12/h8-9,16H,5-7H2,1-4H3,(H2,15,18).
What are the key properties of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide?
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide has a molecular weight of 281.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide is sourced from PubChem (CID 102925687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).