1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine

C11H24N2O2S — CID 62008933

IUPAC1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine
SMILESCCN(CCS(C)(=O)=O)C1(CN)CCCC1
InChIInChI=1S/C11H24N2O2S/c1-3-13(8-9-16(2,14)15)11(10-12)6-4-5-7-11/h3-10,12H2,1-2H3
InChIKeyPRZXFCVYWDADOF-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.62
Rot. Bonds6

About 1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine

1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine (PubChem CID 62008933) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine
PubChem CID62008933
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine
SMILESCCN(CCS(C)(=O)=O)C1(CN)CCCC1
InChIInChI=1S/C11H24N2O2S/c1-3-13(8-9-16(2,14)15)11(10-12)6-4-5-7-11/h3-10,12H2,1-2H3
InChIKeyPRZXFCVYWDADOF-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine (CID 62008933) is 1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine is CCN(CCS(C)(=O)=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine?
The InChIKey is PRZXFCVYWDADOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-13(8-9-16(2,14)15)11(10-12)6-4-5-7-11/h3-10,12H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine?
1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine has a molecular weight of 248.39 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine is sourced from PubChem (CID 62008933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).