2-cyclopentylsulfinylethanamine

C7H15NOS — CID 58684642

IUPAC2-cyclopentylsulfinylethanamine
SMILESNCCS(=O)C1CCCC1
InChIInChI=1S/C7H15NOS/c8-5-6-10(9)7-3-1-2-4-7/h7H,1-6,8H2
InChIKeyJHZHBNMUUCLMDR-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.64
Rot. Bonds3

About 2-cyclopentylsulfinylethanamine

2-cyclopentylsulfinylethanamine (PubChem CID 58684642) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-cyclopentylsulfinylethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfinylethanamine
PubChem CID58684642
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-cyclopentylsulfinylethanamine
SMILESNCCS(=O)C1CCCC1
InChIInChI=1S/C7H15NOS/c8-5-6-10(9)7-3-1-2-4-7/h7H,1-6,8H2
InChIKeyJHZHBNMUUCLMDR-UHFFFAOYSA-N
XLogP0.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfinylethanamine?
The IUPAC name of 2-cyclopentylsulfinylethanamine (CID 58684642) is 2-cyclopentylsulfinylethanamine.
What is the SMILES notation for 2-cyclopentylsulfinylethanamine?
The canonical SMILES for 2-cyclopentylsulfinylethanamine is NCCS(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfinylethanamine?
The InChIKey is JHZHBNMUUCLMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c8-5-6-10(9)7-3-1-2-4-7/h7H,1-6,8H2.
What are the key properties of 2-cyclopentylsulfinylethanamine?
2-cyclopentylsulfinylethanamine has a molecular weight of 161.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfinylethanamine is sourced from PubChem (CID 58684642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).