N-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide

C14H18F2N2OS — CID 115581860

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccccc2SC(F)F)CC1
InChIInChI=1S/C14H18F2N2OS/c1-10-6-8-18(9-7-10)14(19)17-11-4-2-3-5-12(11)20-13(15)16/h2-5,10,13H,6-9H2,1H3,(H,17,19)
InChIKeyKNLYFHOQTSQQSJ-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.27
Rot. Bonds3

About N-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide

N-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide (PubChem CID 115581860) has the molecular formula C14H18F2N2OS and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide
PubChem CID115581860
Molecular FormulaC14H18F2N2OS
Molecular Weight300.37 g/mol
Exact Mass300.11
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccccc2SC(F)F)CC1
InChIInChI=1S/C14H18F2N2OS/c1-10-6-8-18(9-7-10)14(19)17-11-4-2-3-5-12(11)20-13(15)16/h2-5,10,13H,6-9H2,1H3,(H,17,19)
InChIKeyKNLYFHOQTSQQSJ-UHFFFAOYSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101912
4-methyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 108987988
4-(2,5-dihydropyrrol-1-yl)-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide
CID 86803965
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 79163303
(3R,5S)-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-3,5-dimethylazepane-1-carboxamide
CID 124568958
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 79163308
N-[2-(2-cyanopropylsulfanyl)phenyl]-3-methylpyrrolidine-1-carboxamide
CID 86900806
1-acetyl-N-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine-2-carboxamide
CID 78799115
4-methyl-N-pyridin-2-ylpiperidine-1-carboxamide
CID 47266968
(3S)-3-methyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-1-carboxamide
CID 51945551
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
1-[[2-(1-cyanopropan-2-ylsulfanyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122079851

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide (CID 115581860) is N-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccccc2SC(F)F)CC1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is KNLYFHOQTSQQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2OS/c1-10-6-8-18(9-7-10)14(19)17-11-4-2-3-5-12(11)20-13(15)16/h2-5,10,13H,6-9H2,1H3,(H,17,19).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide?
N-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 115581860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).