N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide

C13H20N2OS — CID 91842420

IUPACN-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide
SMILESCc1cc(C)c(CNC(=O)CSC(C)C)cn1
InChIInChI=1S/C13H20N2OS/c1-9(2)17-8-13(16)15-7-12-6-14-11(4)5-10(12)3/h5-6,9H,7-8H2,1-4H3,(H,15,16)
InChIKeyKLOKCPGURJUXLN-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.46
Rot. Bonds5

About N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide

N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide (PubChem CID 91842420) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide
PubChem CID91842420
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide
SMILESCc1cc(C)c(CNC(=O)CSC(C)C)cn1
InChIInChI=1S/C13H20N2OS/c1-9(2)17-8-13(16)15-7-12-6-14-11(4)5-10(12)3/h5-6,9H,7-8H2,1-4H3,(H,15,16)
InChIKeyKLOKCPGURJUXLN-UHFFFAOYSA-N
XLogP2.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide
CID 119059769
3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide
CID 130944215
N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70781233
N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 91760078
N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid
CID 154909396
2-(4,6-dimethyl-3-pyridinyl)-N-(2-hydroxyphenyl)acetamide
CID 142686542
2-(4,6-dimethyl-3-pyridinyl)-N,N-dimethylacetamide
CID 142686541
5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide
CID 155977820
N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 130870041
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-propan-2-ylsulfanylacetamide
CID 122567549
N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70783506
3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176505473

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide (CID 91842420) is N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide is Cc1cc(C)c(CNC(=O)CSC(C)C)cn1.
What is the InChIKey of N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide?
The InChIKey is KLOKCPGURJUXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)17-8-13(16)15-7-12-6-14-11(4)5-10(12)3/h5-6,9H,7-8H2,1-4H3,(H,15,16).
What are the key properties of N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide?
N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide has a molecular weight of 252.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 91842420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).