2-cyclopentylsulfonyl-N-methylethanamine

C8H17NO2S — CID 64673517

IUPAC2-cyclopentylsulfonyl-N-methylethanamine
SMILESCNCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C8H17NO2S/c1-9-6-7-12(10,11)8-4-2-3-5-8/h8-9H,2-7H2,1H3
InChIKeyQLMIOSJFCJSWIY-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.56
Rot. Bonds4

About 2-cyclopentylsulfonyl-N-methylethanamine

2-cyclopentylsulfonyl-N-methylethanamine (PubChem CID 64673517) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-methylethanamine
PubChem CID64673517
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-cyclopentylsulfonyl-N-methylethanamine
SMILESCNCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C8H17NO2S/c1-9-6-7-12(10,11)8-4-2-3-5-8/h8-9H,2-7H2,1H3
InChIKeyQLMIOSJFCJSWIY-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-methylethanamine?
The IUPAC name of 2-cyclopentylsulfonyl-N-methylethanamine (CID 64673517) is 2-cyclopentylsulfonyl-N-methylethanamine.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-methylethanamine?
The canonical SMILES for 2-cyclopentylsulfonyl-N-methylethanamine is CNCCS(=O)(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-methylethanamine?
The InChIKey is QLMIOSJFCJSWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-9-6-7-12(10,11)8-4-2-3-5-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-cyclopentylsulfonyl-N-methylethanamine?
2-cyclopentylsulfonyl-N-methylethanamine has a molecular weight of 191.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-methylethanamine is sourced from PubChem (CID 64673517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).