4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide

C17H30N2O3S — CID 129397247

IUPAC4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide
SMILESCCS[C@H]1CCCC[C@H]1NC(=O)N1CCC(C2OCCO2)CC1
InChIInChI=1S/C17H30N2O3S/c1-2-23-15-6-4-3-5-14(15)18-17(20)19-9-7-13(8-10-19)16-21-11-12-22-16/h13-16H,2-12H2,1H3,(H,18,20)/t14-,15+/m1/s1
InChIKeyJCEWADSVOPCYIF-CABCVRRESA-N
MW342.51 g/mol
LogP2.85
Rot. Bonds4

About 4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide

4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide (PubChem CID 129397247) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide
PubChem CID129397247
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC Name4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide
SMILESCCS[C@H]1CCCC[C@H]1NC(=O)N1CCC(C2OCCO2)CC1
InChIInChI=1S/C17H30N2O3S/c1-2-23-15-6-4-3-5-14(15)18-17(20)19-9-7-13(8-10-19)16-21-11-12-22-16/h13-16H,2-12H2,1H3,(H,18,20)/t14-,15+/m1/s1
InChIKeyJCEWADSVOPCYIF-CABCVRRESA-N
XLogP2.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide (CID 129397247) is 4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide is CCS[C@H]1CCCC[C@H]1NC(=O)N1CCC(C2OCCO2)CC1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide?
The InChIKey is JCEWADSVOPCYIF-CABCVRRESA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-2-23-15-6-4-3-5-14(15)18-17(20)19-9-7-13(8-10-19)16-21-11-12-22-16/h13-16H,2-12H2,1H3,(H,18,20)/t14-,15+/m1/s1.
What are the key properties of 4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide?
4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide has a molecular weight of 342.51 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide is sourced from PubChem (CID 129397247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).