N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine

C13H28N2O2S — CID 79850712

IUPACN-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCN(C)CCS(C)(=O)=O
InChIInChI=1S/C13H28N2O2S/c1-4-14-13-7-5-6-12(13)8-9-15(2)10-11-18(3,16)17/h12-14H,4-11H2,1-3H3
InChIKeyIMZIRMDPKIOBQX-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.13
Rot. Bonds8

About N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine

N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine (PubChem CID 79850712) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine
PubChem CID79850712
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCN(C)CCS(C)(=O)=O
InChIInChI=1S/C13H28N2O2S/c1-4-14-13-7-5-6-12(13)8-9-15(2)10-11-18(3,16)17/h12-14H,4-11H2,1-3H3
InChIKeyIMZIRMDPKIOBQX-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine (CID 79850712) is N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine is CCNC1CCCC1CCN(C)CCS(C)(=O)=O.
What is the InChIKey of N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine?
The InChIKey is IMZIRMDPKIOBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-14-13-7-5-6-12(13)8-9-15(2)10-11-18(3,16)17/h12-14H,4-11H2,1-3H3.
What are the key properties of N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine?
N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine has a molecular weight of 276.45 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79850712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).