2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine

C11H23NO2S — CID 106723715

IUPAC2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine
SMILESCCCS(=O)(=O)CCNC1CCCC1C
InChIInChI=1S/C11H23NO2S/c1-3-8-15(13,14)9-7-12-11-6-4-5-10(11)2/h10-12H,3-9H2,1-2H3
InChIKeyDCGCNEYSQHNJOU-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds6

About 2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine

2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine (PubChem CID 106723715) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine
PubChem CID106723715
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine
SMILESCCCS(=O)(=O)CCNC1CCCC1C
InChIInChI=1S/C11H23NO2S/c1-3-8-15(13,14)9-7-12-11-6-4-5-10(11)2/h10-12H,3-9H2,1-2H3
InChIKeyDCGCNEYSQHNJOU-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine?
The IUPAC name of 2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine (CID 106723715) is 2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine is CCCS(=O)(=O)CCNC1CCCC1C.
What is the InChIKey of 2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine?
The InChIKey is DCGCNEYSQHNJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-8-15(13,14)9-7-12-11-6-4-5-10(11)2/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine?
2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine is sourced from PubChem (CID 106723715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).