N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide

C12H18N2O2S — CID 65115027

IUPACN-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide
SMILESCCC(C)(O)CNC(=O)CSc1ccncc1
InChIInChI=1S/C12H18N2O2S/c1-3-12(2,16)9-14-11(15)8-17-10-4-6-13-7-5-10/h4-7,16H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyKPIDTIJLSVALBK-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.45
Rot. Bonds6

About N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide

N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide (PubChem CID 65115027) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide
PubChem CID65115027
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide
SMILESCCC(C)(O)CNC(=O)CSc1ccncc1
InChIInChI=1S/C12H18N2O2S/c1-3-12(2,16)9-14-11(15)8-17-10-4-6-13-7-5-10/h4-7,16H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyKPIDTIJLSVALBK-UHFFFAOYSA-N
XLogP1.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65112733
2,2-dimethyl-3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 113307726
2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113544
N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide
CID 114618823
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260
3-methyl-2-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]butanoic acid
CID 65220146
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 66170023
3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 43354856
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65112025
N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride
CID 120650682
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095
2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65112666

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide (CID 65115027) is N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide is CCC(C)(O)CNC(=O)CSc1ccncc1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is KPIDTIJLSVALBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-12(2,16)9-14-11(15)8-17-10-4-6-13-7-5-10/h4-7,16H,3,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide?
N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 254.35 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 65115027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).