(3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide

C14H22N2O2S — CID 99970113

IUPAC(3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NCCSCc2ccco2)C1
InChIInChI=1S/C14H22N2O2S/c1-16-7-2-4-12(10-16)14(17)15-6-9-19-11-13-5-3-8-18-13/h3,5,8,12H,2,4,6-7,9-11H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyYSKPYNSERQMQPR-LBPRGKRZSA-N
MW282.41 g/mol
LogP1.97
Rot. Bonds6

About (3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide

(3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide (PubChem CID 99970113) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide
PubChem CID99970113
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NCCSCc2ccco2)C1
InChIInChI=1S/C14H22N2O2S/c1-16-7-2-4-12(10-16)14(17)15-6-9-19-11-13-5-3-8-18-13/h3,5,8,12H,2,4,6-7,9-11H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyYSKPYNSERQMQPR-LBPRGKRZSA-N
XLogP1.97
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 43922708
(3S)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide
CID 99970124
(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 39969578
(3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 33345459
(3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide
CID 97454873
1-methyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 132650320
1-benzoyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 3437366
(3R)-1-methyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 99970102
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45006705
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide
CID 121034408
1-benzyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4803608
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide (CID 99970113) is (3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide is CN1CCC[C@H](C(=O)NCCSCc2ccco2)C1.
What is the InChIKey of (3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is YSKPYNSERQMQPR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-16-7-2-4-12(10-16)14(17)15-6-9-19-11-13-5-3-8-18-13/h3,5,8,12H,2,4,6-7,9-11H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide?
(3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 99970113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).