N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide

C14H22N2O2S — CID 97051933

IUPACN-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide
SMILESCC(C)[C@@](C)(O)CNC(=O)CCSc1ccccn1
InChIInChI=1S/C14H22N2O2S/c1-11(2)14(3,18)10-16-12(17)7-9-19-13-6-4-5-8-15-13/h4-6,8,11,18H,7,9-10H2,1-3H3,(H,16,17)/t14-/m0/s1
InChIKeyQQJJHWVDITXCHT-AWEZNQCLSA-N
MW282.41 g/mol
LogP2.09
Rot. Bonds7

About N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide

N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide (PubChem CID 97051933) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide
PubChem CID97051933
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide
SMILESCC(C)[C@@](C)(O)CNC(=O)CCSc1ccccn1
InChIInChI=1S/C14H22N2O2S/c1-11(2)14(3,18)10-16-12(17)7-9-19-13-6-4-5-8-15-13/h4-6,8,11,18H,7,9-10H2,1-3H3,(H,16,17)/t14-/m0/s1
InChIKeyQQJJHWVDITXCHT-AWEZNQCLSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide
CID 95139924
N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 111484028
N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378
N-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 111483980
N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23804280
N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
CID 3260207
N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23833046
2-pyridin-2-ylsulfanylethylcarbamic acid
CID 22357478
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide
CID 74236898
N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide
CID 111484060
ethyl 2-(methylamino)-4-pyridin-2-ylsulfanylbutanoate
CID 55142823
N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 111483554

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide (CID 97051933) is N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide is CC(C)[C@@](C)(O)CNC(=O)CCSc1ccccn1.
What is the InChIKey of N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide?
The InChIKey is QQJJHWVDITXCHT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)14(3,18)10-16-12(17)7-9-19-13-6-4-5-8-15-13/h4-6,8,11,18H,7,9-10H2,1-3H3,(H,16,17)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide?
N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide has a molecular weight of 282.41 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 97051933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).