N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine

C13H28N2S — CID 114628366

IUPACN,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine
SMILESCC(C)CCN(C)CCSC1CCNCC1
InChIInChI=1S/C13H28N2S/c1-12(2)6-9-15(3)10-11-16-13-4-7-14-8-5-13/h12-14H,4-11H2,1-3H3
InChIKeyGFJGMSXGQJSGQT-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.45
Rot. Bonds7

About N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine

N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine (PubChem CID 114628366) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine
PubChem CID114628366
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC NameN,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine
SMILESCC(C)CCN(C)CCSC1CCNCC1
InChIInChI=1S/C13H28N2S/c1-12(2)6-9-15(3)10-11-16-13-4-7-14-8-5-13/h12-14H,4-11H2,1-3H3
InChIKeyGFJGMSXGQJSGQT-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine?
The IUPAC name of N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine (CID 114628366) is N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine is CC(C)CCN(C)CCSC1CCNCC1.
What is the InChIKey of N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine?
The InChIKey is GFJGMSXGQJSGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-12(2)6-9-15(3)10-11-16-13-4-7-14-8-5-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine?
N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine has a molecular weight of 244.45 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine is sourced from PubChem (CID 114628366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).