1-cyclopentylsulfinylpropan-2-amine

C8H17NOS — CID 64655238

IUPAC1-cyclopentylsulfinylpropan-2-amine
SMILESCC(N)CS(=O)C1CCCC1
InChIInChI=1S/C8H17NOS/c1-7(9)6-11(10)8-4-2-3-5-8/h7-8H,2-6,9H2,1H3
InChIKeyDAZDOWCSJQYYSH-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.02
Rot. Bonds3

About 1-cyclopentylsulfinylpropan-2-amine

1-cyclopentylsulfinylpropan-2-amine (PubChem CID 64655238) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-cyclopentylsulfinylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfinylpropan-2-amine
PubChem CID64655238
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name1-cyclopentylsulfinylpropan-2-amine
SMILESCC(N)CS(=O)C1CCCC1
InChIInChI=1S/C8H17NOS/c1-7(9)6-11(10)8-4-2-3-5-8/h7-8H,2-6,9H2,1H3
InChIKeyDAZDOWCSJQYYSH-UHFFFAOYSA-N
XLogP1.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfinylpropan-2-amine?
The IUPAC name of 1-cyclopentylsulfinylpropan-2-amine (CID 64655238) is 1-cyclopentylsulfinylpropan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfinylpropan-2-amine?
The canonical SMILES for 1-cyclopentylsulfinylpropan-2-amine is CC(N)CS(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentylsulfinylpropan-2-amine?
The InChIKey is DAZDOWCSJQYYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(9)6-11(10)8-4-2-3-5-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 1-cyclopentylsulfinylpropan-2-amine?
1-cyclopentylsulfinylpropan-2-amine has a molecular weight of 175.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfinylpropan-2-amine is sourced from PubChem (CID 64655238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).