ethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane

C19H37NS — CID 142603315

IUPACethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane
SMILESCC.CCC.CCc1scc(C)c1CCN1CCCCC1
InChIInChI=1S/C14H23NS.C3H8.C2H6/c1-3-14-13(12(2)11-16-14)7-10-15-8-5-4-6-9-15;1-3-2;1-2/h11H,3-10H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyJQRDOYCEGZJLEL-UHFFFAOYSA-N
MW311.58 g/mol
LogP6.09
Rot. Bonds4

About ethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane

ethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane (PubChem CID 142603315) has the molecular formula C19H37NS and a molecular weight of 311.58 g/mol. Its IUPAC name is ethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane.

Molecular Properties

Compound Nameethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane
PubChem CID142603315
Molecular FormulaC19H37NS
Molecular Weight311.58 g/mol
Exact Mass311.26
IUPAC Nameethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane
SMILESCC.CCC.CCc1scc(C)c1CCN1CCCCC1
InChIInChI=1S/C14H23NS.C3H8.C2H6/c1-3-14-13(12(2)11-16-14)7-10-15-8-5-4-6-9-15;1-3-2;1-2/h11H,3-10H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyJQRDOYCEGZJLEL-UHFFFAOYSA-N
XLogP6.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.58
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine
CID 142603316
1-[2-(5-methoxy-2-methylphenyl)ethyl]piperidine
CID 175842884
3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline
CID 142307822
N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
CID 71034556
2-(chloromethyl)-N,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-3-sulfonamide
CID 102750658
1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine
CID 57428859
N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 113411481
1,4-dimethyl-5-(2-piperidin-1-ylethyl)pyrimido[1,6-a]indole
CID 12786438
1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine
CID 143629002
1-[2-(2-ethoxy-6-phenylphenyl)ethyl]piperidine
CID 57240219
2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile
CID 82515352
1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine
CID 177291992

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane?
The IUPAC name of ethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane (CID 142603315) is ethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane.
What is the SMILES notation for ethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane?
The canonical SMILES for ethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane is CC.CCC.CCc1scc(C)c1CCN1CCCCC1.
What is the InChIKey of ethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane?
The InChIKey is JQRDOYCEGZJLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS.C3H8.C2H6/c1-3-14-13(12(2)11-16-14)7-10-15-8-5-4-6-9-15;1-3-2;1-2/h11H,3-10H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane?
ethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane has a molecular weight of 311.58 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(2-ethyl-4-methylthiophen-3-yl)ethyl]piperidine;propane is sourced from PubChem (CID 142603315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).