N-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine

C12H26N2S — CID 63964550

IUPACN-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine
SMILESCCNC1CCN(CC(C)CSC)CC1
InChIInChI=1S/C12H26N2S/c1-4-13-12-5-7-14(8-6-12)9-11(2)10-15-3/h11-13H,4-10H2,1-3H3
InChIKeyFMOXJRUDOQHUNX-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.06
Rot. Bonds6

About N-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine

N-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine (PubChem CID 63964550) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is N-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine
PubChem CID63964550
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC NameN-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine
SMILESCCNC1CCN(CC(C)CSC)CC1
InChIInChI=1S/C12H26N2S/c1-4-13-12-5-7-14(8-6-12)9-11(2)10-15-3/h11-13H,4-10H2,1-3H3
InChIKeyFMOXJRUDOQHUNX-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine?
The IUPAC name of N-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine (CID 63964550) is N-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine?
The canonical SMILES for N-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine is CCNC1CCN(CC(C)CSC)CC1.
What is the InChIKey of N-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine?
The InChIKey is FMOXJRUDOQHUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-4-13-12-5-7-14(8-6-12)9-11(2)10-15-3/h11-13H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine?
N-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine has a molecular weight of 230.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine is sourced from PubChem (CID 63964550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).