3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine

C12H23NOS — CID 115685766

IUPAC3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
SMILESCSC1CCC(NCC2CCOCC2)C1
InChIInChI=1S/C12H23NOS/c1-15-12-3-2-11(8-12)13-9-10-4-6-14-7-5-10/h10-13H,2-9H2,1H3
InChIKeyFLRRZIBMIOLQHI-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.29
Rot. Bonds4

About 3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine

3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine (PubChem CID 115685766) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
PubChem CID115685766
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
SMILESCSC1CCC(NCC2CCOCC2)C1
InChIInChI=1S/C12H23NOS/c1-15-12-3-2-11(8-12)13-9-10-4-6-14-7-5-10/h10-13H,2-9H2,1H3
InChIKeyFLRRZIBMIOLQHI-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine (CID 115685766) is 3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine is CSC1CCC(NCC2CCOCC2)C1.
What is the InChIKey of 3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
The InChIKey is FLRRZIBMIOLQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-15-12-3-2-11(8-12)13-9-10-4-6-14-7-5-10/h10-13H,2-9H2,1H3.
What are the key properties of 3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine has a molecular weight of 229.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 115685766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).