1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-amine

C13H28N2S — CID 63965203

IUPAC1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC(C)CSC)CC1
InChIInChI=1S/C13H28N2S/c1-4-7-14-13-5-8-15(9-6-13)10-12(2)11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyGSIGZTACXMBTLZ-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.45
Rot. Bonds7

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

1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-amine (PubChem CID 63965203) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-amine
PubChem CID63965203
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC(C)CSC)CC1
InChIInChI=1S/C13H28N2S/c1-4-7-14-13-5-8-15(9-6-13)10-12(2)11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyGSIGZTACXMBTLZ-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 1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-amine (CID 63965203) is 1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-amine is CCCNC1CCN(CC(C)CSC)CC1.
What is the InChIKey of 1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-amine?
The InChIKey is GSIGZTACXMBTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-4-7-14-13-5-8-15(9-6-13)10-12(2)11-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-amine?
1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-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 1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 63965203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).