5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine

C10H21NO3S — CID 79862204

IUPAC5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine
SMILESCOCCS(=O)(=O)C1CCC(C)(C)C1N
InChIInChI=1S/C10H21NO3S/c1-10(2)5-4-8(9(10)11)15(12,13)7-6-14-3/h8-9H,4-7,11H2,1-3H3
InChIKeySRNLQZFZFDDLIT-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.56
Rot. Bonds4

About 5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine

5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine (PubChem CID 79862204) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine
PubChem CID79862204
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine
SMILESCOCCS(=O)(=O)C1CCC(C)(C)C1N
InChIInChI=1S/C10H21NO3S/c1-10(2)5-4-8(9(10)11)15(12,13)7-6-14-3/h8-9H,4-7,11H2,1-3H3
InChIKeySRNLQZFZFDDLIT-UHFFFAOYSA-N
XLogP0.56
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine (CID 79862204) is 5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine is COCCS(=O)(=O)C1CCC(C)(C)C1N.
What is the InChIKey of 5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine?
The InChIKey is SRNLQZFZFDDLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2)5-4-8(9(10)11)15(12,13)7-6-14-3/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine?
5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79862204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).