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

C14H18F2N2OS — CID 114422936

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2ccc(SC(F)F)cc2)C1
InChIInChI=1S/C14H18F2N2OS/c1-9-6-7-17-12(8-9)13(19)18-10-2-4-11(5-3-10)20-14(15)16/h2-5,9,12,14,17H,6-8H2,1H3,(H,18,19)
InChIKeySJPDDCISGYYXKX-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.33
Rot. Bonds4

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

N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide (PubChem CID 114422936) has the molecular formula C14H18F2N2OS and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide
PubChem CID114422936
Molecular FormulaC14H18F2N2OS
Molecular Weight300.37 g/mol
Exact Mass300.11
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2ccc(SC(F)F)cc2)C1
InChIInChI=1S/C14H18F2N2OS/c1-9-6-7-17-12(8-9)13(19)18-10-2-4-11(5-3-10)20-14(15)16/h2-5,9,12,14,17H,6-8H2,1H3,(H,18,19)
InChIKeySJPDDCISGYYXKX-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
CID 114422593
(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615898
N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422665
4-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 114422983
4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide
CID 114422736
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 114424331
2-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941101
N-(3,4-dimethoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422606
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide
CID 114423054
4-methyl-N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 114423238
2-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978159
N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 43698982

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide (CID 114422936) is N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)Nc2ccc(SC(F)F)cc2)C1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide?
The InChIKey is SJPDDCISGYYXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2OS/c1-9-6-7-17-12(8-9)13(19)18-10-2-4-11(5-3-10)20-14(15)16/h2-5,9,12,14,17H,6-8H2,1H3,(H,18,19).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide?
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114422936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).