N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine

C15H30N2O2S — CID 71968292

IUPACN-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCC1CCN(CCN(C)C2CCCC2S(C)(=O)=O)CC1
InChIInChI=1S/C15H30N2O2S/c1-13-7-9-17(10-8-13)12-11-16(2)14-5-4-6-15(14)20(3,18)19/h13-15H,4-12H2,1-3H3
InChIKeyJEBHLTIAESBLQP-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.62
Rot. Bonds5

About N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine

N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 71968292) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID71968292
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCC1CCN(CCN(C)C2CCCC2S(C)(=O)=O)CC1
InChIInChI=1S/C15H30N2O2S/c1-13-7-9-17(10-8-13)12-11-16(2)14-5-4-6-15(14)20(3,18)19/h13-15H,4-12H2,1-3H3
InChIKeyJEBHLTIAESBLQP-UHFFFAOYSA-N
XLogP1.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine (CID 71968292) is N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine is CC1CCN(CCN(C)C2CCCC2S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is JEBHLTIAESBLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-13-7-9-17(10-8-13)12-11-16(2)14-5-4-6-15(14)20(3,18)19/h13-15H,4-12H2,1-3H3.
What are the key properties of N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 302.48 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 71968292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).