2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine

C11H21NOS — CID 64904736

IUPAC2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine
SMILESCC1C(N)CCC1SC1CCOCC1
InChIInChI=1S/C11H21NOS/c1-8-10(12)2-3-11(8)14-9-4-6-13-7-5-9/h8-11H,2-7,12H2,1H3
InChIKeyWSRNEYZJVREIEY-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.02
Rot. Bonds2

About 2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine

2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine (PubChem CID 64904736) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine
PubChem CID64904736
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine
SMILESCC1C(N)CCC1SC1CCOCC1
InChIInChI=1S/C11H21NOS/c1-8-10(12)2-3-11(8)14-9-4-6-13-7-5-9/h8-11H,2-7,12H2,1H3
InChIKeyWSRNEYZJVREIEY-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine?
The IUPAC name of 2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine (CID 64904736) is 2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine?
The canonical SMILES for 2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine is CC1C(N)CCC1SC1CCOCC1.
What is the InChIKey of 2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine?
The InChIKey is WSRNEYZJVREIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-8-10(12)2-3-11(8)14-9-4-6-13-7-5-9/h8-11H,2-7,12H2,1H3.
What are the key properties of 2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine?
2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine has a molecular weight of 215.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxan-4-ylsulfanyl)cyclopentan-1-amine is sourced from PubChem (CID 64904736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).