N,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine

C10H21NO2S2 — CID 64905743

IUPACN,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine
SMILESCNC1CCC(SCCS(C)(=O)=O)C1C
InChIInChI=1S/C10H21NO2S2/c1-8-9(11-2)4-5-10(8)14-6-7-15(3,12)13/h8-11H,4-7H2,1-3H3
InChIKeyLWOAANRVIJXBJB-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.15
Rot. Bonds5

About N,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine

N,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine (PubChem CID 64905743) has the molecular formula C10H21NO2S2 and a molecular weight of 251.42 g/mol. Its IUPAC name is N,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine
PubChem CID64905743
Molecular FormulaC10H21NO2S2
Molecular Weight251.42 g/mol
Exact Mass251.10
IUPAC NameN,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine
SMILESCNC1CCC(SCCS(C)(=O)=O)C1C
InChIInChI=1S/C10H21NO2S2/c1-8-9(11-2)4-5-10(8)14-6-7-15(3,12)13/h8-11H,4-7H2,1-3H3
InChIKeyLWOAANRVIJXBJB-UHFFFAOYSA-N
XLogP1.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine?
The IUPAC name of N,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine (CID 64905743) is N,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine is CNC1CCC(SCCS(C)(=O)=O)C1C.
What is the InChIKey of N,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine?
The InChIKey is LWOAANRVIJXBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S2/c1-8-9(11-2)4-5-10(8)14-6-7-15(3,12)13/h8-11H,4-7H2,1-3H3.
What are the key properties of N,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine?
N,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine is sourced from PubChem (CID 64905743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).