N-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine

C10H19NOS — CID 79333226

IUPACN-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine
SMILESCCNC1CCC(SC2COC2)C1
InChIInChI=1S/C10H19NOS/c1-2-11-8-3-4-9(5-8)13-10-6-12-7-10/h8-11H,2-7H2,1H3
InChIKeyUDDABKGAKUHWAL-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.65
Rot. Bonds4

About N-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine

N-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine (PubChem CID 79333226) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine
PubChem CID79333226
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine
SMILESCCNC1CCC(SC2COC2)C1
InChIInChI=1S/C10H19NOS/c1-2-11-8-3-4-9(5-8)13-10-6-12-7-10/h8-11H,2-7H2,1H3
InChIKeyUDDABKGAKUHWAL-UHFFFAOYSA-N
XLogP1.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine (CID 79333226) is N-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine is CCNC1CCC(SC2COC2)C1.
What is the InChIKey of N-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine?
The InChIKey is UDDABKGAKUHWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-2-11-8-3-4-9(5-8)13-10-6-12-7-10/h8-11H,2-7H2,1H3.
What are the key properties of N-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine?
N-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine has a molecular weight of 201.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine is sourced from PubChem (CID 79333226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).