N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide

C12H18N2O2S — CID 79255664

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide
SMILESCC(C)C(CO)NC(=O)CSc1ccncc1
InChIInChI=1S/C12H18N2O2S/c1-9(2)11(7-15)14-12(16)8-17-10-3-5-13-6-4-10/h3-6,9,11,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyBXMIRICUYMFMJD-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.31
Rot. Bonds6

About N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide

N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide (PubChem CID 79255664) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide
PubChem CID79255664
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide
SMILESCC(C)C(CO)NC(=O)CSc1ccncc1
InChIInChI=1S/C12H18N2O2S/c1-9(2)11(7-15)14-12(16)8-17-10-3-5-13-6-4-10/h3-6,9,11,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyBXMIRICUYMFMJD-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 61131663
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 79246128
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260
ethyl 2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoate
CID 61343151
(2S)-4-methyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]pentanoic acid
CID 61156542
4-methyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]pentanoic acid
CID 43170168
tert-butyl (2R)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoate
CID 81004061
3-methyl-2-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]butanoic acid
CID 65220146
N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 97237255
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 79253088
3-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide
CID 79252540

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide (CID 79255664) is N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide is CC(C)C(CO)NC(=O)CSc1ccncc1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is BXMIRICUYMFMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(2)11(7-15)14-12(16)8-17-10-3-5-13-6-4-10/h3-6,9,11,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 254.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 79255664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).