N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide

C15H20F2N2O2S — CID 110878848

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(CO)C1)Nc1ccccc1SC(F)F
InChIInChI=1S/C15H20F2N2O2S/c16-15(17)22-13-6-2-1-5-12(13)18-14(21)9-19-7-3-4-11(8-19)10-20/h1-2,5-6,11,15,20H,3-4,7-10H2,(H,18,21)
InChIKeyNAJKICSTIOOIMU-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 110878848) has the molecular formula C15H20F2N2O2S and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID110878848
Molecular FormulaC15H20F2N2O2S
Molecular Weight330.40 g/mol
Exact Mass330.12
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(CO)C1)Nc1ccccc1SC(F)F
InChIInChI=1S/C15H20F2N2O2S/c16-15(17)22-13-6-2-1-5-12(13)18-14(21)9-19-7-3-4-11(8-19)10-20/h1-2,5-6,11,15,20H,3-4,7-10H2,(H,18,21)
InChIKeyNAJKICSTIOOIMU-UHFFFAOYSA-N
XLogP2.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 111543814
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 110877824
N-[2-(difluoromethylsulfanyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8519875
N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110877849
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 120775661
N-(2-aminophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227195
2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 62660823
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 55381600
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 111543866
N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590088
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60672266
N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8549272

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide (CID 110878848) is N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide is O=C(CN1CCCC(CO)C1)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is NAJKICSTIOOIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2S/c16-15(17)22-13-6-2-1-5-12(13)18-14(21)9-19-7-3-4-11(8-19)10-20/h1-2,5-6,11,15,20H,3-4,7-10H2,(H,18,21).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 330.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 110878848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).