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

C13H28N2S — CID 63980826

IUPACN-(2-methyl-3-methylsulfanylpropyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCC(C)CSC)CC1
InChIInChI=1S/C13H28N2S/c1-4-7-15-8-5-13(6-9-15)14-10-12(2)11-16-3/h12-14H,4-11H2,1-3H3
InChIKeySBQFIKVJQASVNC-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.45
Rot. Bonds7

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

N-(2-methyl-3-methylsulfanylpropyl)-1-propylpiperidin-4-amine (PubChem CID 63980826) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-1-propylpiperidin-4-amine
PubChem CID63980826
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCC(C)CSC)CC1
InChIInChI=1S/C13H28N2S/c1-4-7-15-8-5-13(6-9-15)14-10-12(2)11-16-3/h12-14H,4-11H2,1-3H3
InChIKeySBQFIKVJQASVNC-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-(2-methyl-3-methylsulfanylpropyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-1-propylpiperidin-4-amine (CID 63980826) is N-(2-methyl-3-methylsulfanylpropyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-1-propylpiperidin-4-amine is CCCN1CCC(NCC(C)CSC)CC1.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-1-propylpiperidin-4-amine?
The InChIKey is SBQFIKVJQASVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-4-7-15-8-5-13(6-9-15)14-10-12(2)11-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-1-propylpiperidin-4-amine?
N-(2-methyl-3-methylsulfanylpropyl)-1-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 N-(2-methyl-3-methylsulfanylpropyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 63980826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).