2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine

C13H27NO2S — CID 55106841

IUPAC2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCS(C)(=O)=O)CCCC1
InChIInChI=1S/C13H27NO2S/c1-12(2)10-14-11-13(6-4-5-7-13)8-9-17(3,15)16/h12,14H,4-11H2,1-3H3
InChIKeyQWUOGYLNHJUNCW-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.23
Rot. Bonds7

About 2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine

2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 55106841) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine
PubChem CID55106841
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCS(C)(=O)=O)CCCC1
InChIInChI=1S/C13H27NO2S/c1-12(2)10-14-11-13(6-4-5-7-13)8-9-17(3,15)16/h12,14H,4-11H2,1-3H3
InChIKeyQWUOGYLNHJUNCW-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine (CID 55106841) is 2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine is CC(C)CNCC1(CCS(C)(=O)=O)CCCC1.
What is the InChIKey of 2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is QWUOGYLNHJUNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-12(2)10-14-11-13(6-4-5-7-13)8-9-17(3,15)16/h12,14H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine?
2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 55106841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).