(2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide

C11H20N2OS — CID 103810053

IUPAC(2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide
SMILESC=CCSCCNC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H20N2OS/c1-2-8-15-9-7-13-11(14)10-5-3-4-6-12-10/h2,10,12H,1,3-9H2,(H,13,14)/t10-/m0/s1
InChIKeyOYNPMUNVASGIGN-JTQLQIEISA-N
MW228.36 g/mol
LogP1.16
Rot. Bonds6

About (2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide

(2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide (PubChem CID 103810053) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is (2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide
PubChem CID103810053
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name(2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide
SMILESC=CCSCCNC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H20N2OS/c1-2-8-15-9-7-13-11(14)10-5-3-4-6-12-10/h2,10,12H,1,3-9H2,(H,13,14)/t10-/m0/s1
InChIKeyOYNPMUNVASGIGN-JTQLQIEISA-N
XLogP1.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(piperidine-2-carbonylamino)ethylsulfanyl]acetate
CID 119320148
N-(2-prop-2-enylsulfanylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 113264065
(2S)-N-[2-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyldisulfanyl]ethyl]pyrrolidine-2-carboxamide
CID 11725207
N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide
CID 103950540
methyl 2-[2-(pyrrolidine-2-carbonylamino)ethylsulfanyl]acetate
CID 119320156
(2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide
CID 103812003
3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644
(2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
CID 103795366
N-(piperidin-2-ylmethyl)-2-prop-2-enylsulfanylethanamine
CID 106425505
N-(4-hydroxybutyl)azepane-2-carboxamide
CID 106842137
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-2-carboxamide
CID 61249088

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide (CID 103810053) is (2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide is C=CCSCCNC(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide?
The InChIKey is OYNPMUNVASGIGN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2OS/c1-2-8-15-9-7-13-11(14)10-5-3-4-6-12-10/h2,10,12H,1,3-9H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide?
(2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-prop-2-enylsulfanylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 103810053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).