N-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine

C13H26N2S — CID 103063262

IUPACN-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine
SMILESCCNC1CCN(C2CCSC2)C(C)C1C
InChIInChI=1S/C13H26N2S/c1-4-14-13-5-7-15(11(3)10(13)2)12-6-8-16-9-12/h10-14H,4-9H2,1-3H3
InChIKeyPSUUFVRZRFBUEX-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.20
Rot. Bonds3

About N-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine

N-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine (PubChem CID 103063262) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine
PubChem CID103063262
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine
SMILESCCNC1CCN(C2CCSC2)C(C)C1C
InChIInChI=1S/C13H26N2S/c1-4-14-13-5-7-15(11(3)10(13)2)12-6-8-16-9-12/h10-14H,4-9H2,1-3H3
InChIKeyPSUUFVRZRFBUEX-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,3-dimethyl-1-(3-methylcyclohexyl)piperidin-4-amine
CID 79397999
N-ethyl-1-(3-ethylcyclohexyl)-2,3-dimethylpiperidin-4-amine
CID 79406769
N-ethyl-2,3-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-amine
CID 79413441
1-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79406628
2,3-dimethyl-N-propyl-1-(4-propylcyclohexyl)piperidin-4-amine
CID 79413411
1-(2,2-dimethylbutyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 103461886
N-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 103064865
1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397146
1-(4-ethylcyclohexyl)-N,2,3-trimethylpiperidin-4-amine
CID 79396543
(2R)-2-methyl-1-(thiolan-3-yl)piperazine
CID 130780057
N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine
CID 79407263
3-(bromomethyl)-4-(thiolan-3-yl)thiomorpholine
CID 164656486

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine?
The IUPAC name of N-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine (CID 103063262) is N-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine?
The canonical SMILES for N-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine is CCNC1CCN(C2CCSC2)C(C)C1C.
What is the InChIKey of N-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine?
The InChIKey is PSUUFVRZRFBUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-4-14-13-5-7-15(11(3)10(13)2)12-6-8-16-9-12/h10-14H,4-9H2,1-3H3.
What are the key properties of N-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine?
N-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine has a molecular weight of 242.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-1-(thiolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 103063262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).