cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine

C11H23NO3S — CID 129428940

IUPACcis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESCCOCCN(C)[C@H]1CCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-4-15-9-8-12(2)10-6-5-7-11(10)16(3,13)14/h10-11H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyJVCHMTGYGPSSJK-WDEREUQCSA-N
MW249.38 g/mol
LogP0.92
Rot. Bonds6

About cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine

cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine (PubChem CID 129428940) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
PubChem CID129428940
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Namecis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESCCOCCN(C)[C@H]1CCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-4-15-9-8-12(2)10-6-5-7-11(10)16(3,13)14/h10-11H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyJVCHMTGYGPSSJK-WDEREUQCSA-N
XLogP0.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine (CID 129428940) is cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine is CCOCCN(C)[C@H]1CCC[C@H]1S(C)(=O)=O.
What is the InChIKey of cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is JVCHMTGYGPSSJK-WDEREUQCSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-4-15-9-8-12(2)10-6-5-7-11(10)16(3,13)14/h10-11H,4-9H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 129428940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).