1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine

C13H26N2S2 — CID 113489426

IUPAC1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine
SMILESCCNC1CCN(CC2CSCCS2)C(C)C1
InChIInChI=1S/C13H26N2S2/c1-3-14-12-4-5-15(11(2)8-12)9-13-10-16-6-7-17-13/h11-14H,3-10H2,1-2H3
InChIKeyGYBLCIZRYFABKS-UHFFFAOYSA-N
MW274.50 g/mol
LogP2.30
Rot. Bonds4

About 1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine

1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine (PubChem CID 113489426) has the molecular formula C13H26N2S2 and a molecular weight of 274.50 g/mol. Its IUPAC name is 1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine
PubChem CID113489426
Molecular FormulaC13H26N2S2
Molecular Weight274.50 g/mol
Exact Mass274.15
IUPAC Name1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine
SMILESCCNC1CCN(CC2CSCCS2)C(C)C1
InChIInChI=1S/C13H26N2S2/c1-3-14-12-4-5-15(11(2)8-12)9-13-10-16-6-7-17-13/h11-14H,3-10H2,1-2H3
InChIKeyGYBLCIZRYFABKS-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine?
The IUPAC name of 1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine (CID 113489426) is 1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine?
The canonical SMILES for 1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine is CCNC1CCN(CC2CSCCS2)C(C)C1.
What is the InChIKey of 1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine?
The InChIKey is GYBLCIZRYFABKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S2/c1-3-14-12-4-5-15(11(2)8-12)9-13-10-16-6-7-17-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine?
1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine has a molecular weight of 274.50 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine is sourced from PubChem (CID 113489426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).