N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide

C14H22N2O2S — CID 111484028

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCC(C)C(C)(O)CNC(=O)CSCc1ccccn1
InChIInChI=1S/C14H22N2O2S/c1-11(2)14(3,18)10-16-13(17)9-19-8-12-6-4-5-7-15-12/h4-7,11,18H,8-10H2,1-3H3,(H,16,17)
InChIKeyHVYUKTQEFDDKLF-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.84
Rot. Bonds7

About N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide

N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide (PubChem CID 111484028) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
PubChem CID111484028
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCC(C)C(C)(O)CNC(=O)CSCc1ccccn1
InChIInChI=1S/C14H22N2O2S/c1-11(2)14(3,18)10-16-13(17)9-19-8-12-6-4-5-7-15-12/h4-7,11,18H,8-10H2,1-3H3,(H,16,17)
InChIKeyHVYUKTQEFDDKLF-UHFFFAOYSA-N
XLogP1.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901648
N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120827351
N-(2-hydroxyethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901516
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 111479003
N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide
CID 97051933
N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378
N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide
CID 51085850
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55929746
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111120941
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid
CID 66972690
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55825302

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide (CID 111484028) is N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide is CC(C)C(C)(O)CNC(=O)CSCc1ccccn1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The InChIKey is HVYUKTQEFDDKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)14(3,18)10-16-13(17)9-19-8-12-6-4-5-7-15-12/h4-7,11,18H,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 111484028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).