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1-(2-methylsulfanylethyl)piperidin-4-amine

C8H18N2S — CID 18001931

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(2-methylsulfanylethyl)piperidin-4-amine
SMILESCSCCN1CCC(N)CC1
InChIInChI=1S/C8H18N2S/c1-11-7-6-10-4-2-8(9)3-5-10/h8H,2-7,9H2,1H3
InChIKeyXDNZLJFOKWVEEZ-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.77
Rot. Bonds3

About 1-(2-methylsulfanylethyl)piperidin-4-amine

1-(2-methylsulfanylethyl)piperidin-4-amine (PubChem CID 18001931) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 1-(2-methylsulfanylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylsulfanylethyl)piperidin-4-amine
PubChem CID18001931
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name1-(2-methylsulfanylethyl)piperidin-4-amine
SMILESCSCCN1CCC(N)CC1
InChIInChI=1S/C8H18N2S/c1-11-7-6-10-4-2-8(9)3-5-10/h8H,2-7,9H2,1H3
InChIKeyXDNZLJFOKWVEEZ-UHFFFAOYSA-N
XLogP0.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethyl)piperidin-4-amine?
The IUPAC name of 1-(2-methylsulfanylethyl)piperidin-4-amine (CID 18001931) is 1-(2-methylsulfanylethyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-methylsulfanylethyl)piperidin-4-amine?
The canonical SMILES for 1-(2-methylsulfanylethyl)piperidin-4-amine is CSCCN1CCC(N)CC1.
What is the InChIKey of 1-(2-methylsulfanylethyl)piperidin-4-amine?
The InChIKey is XDNZLJFOKWVEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-11-7-6-10-4-2-8(9)3-5-10/h8H,2-7,9H2,1H3.
What are the key properties of 1-(2-methylsulfanylethyl)piperidin-4-amine?
1-(2-methylsulfanylethyl)piperidin-4-amine has a molecular weight of 174.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethyl)piperidin-4-amine is sourced from PubChem (CID 18001931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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