N-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine

C9H19NO2S2 — CID 64725094

IUPACN-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine
SMILESCNC1CCC(SCCS(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S2/c1-10-8-3-4-9(7-8)13-5-6-14(2,11)12/h8-10H,3-7H2,1-2H3
InChIKeyJGGADHLSIDYLJL-UHFFFAOYSA-N
MW237.39 g/mol
LogP0.90
Rot. Bonds5

About N-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine

N-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine (PubChem CID 64725094) has the molecular formula C9H19NO2S2 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine
PubChem CID64725094
Molecular FormulaC9H19NO2S2
Molecular Weight237.39 g/mol
Exact Mass237.09
IUPAC NameN-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine
SMILESCNC1CCC(SCCS(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S2/c1-10-8-3-4-9(7-8)13-5-6-14(2,11)12/h8-10H,3-7H2,1-2H3
InChIKeyJGGADHLSIDYLJL-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylsulfonylethylsulfanyl)-N-propylcyclohexan-1-amine
CID 64717984
N,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine
CID 64905743
N-methyl-3-methylsulfanylcyclopentan-1-amine
CID 54595737
tert-butyl 2-[3-(methylamino)cyclopentyl]sulfanylacetate
CID 116687934
N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine
CID 63658882
N-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine
CID 64723286
N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967
2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-methylsulfonylethyl)guanidine
CID 111528515
1-cyclohexyl-N-methyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
CID 104754975
N-(3-ethylsulfanylcyclopentyl)-2-methylsulfonylcyclohexan-1-amine
CID 75516655
1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-(2-methylsulfonylethyl)guanidine
CID 111529771
N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106812

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine?
The IUPAC name of N-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine (CID 64725094) is N-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine.
What is the SMILES notation for N-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine?
The canonical SMILES for N-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine is CNC1CCC(SCCS(C)(=O)=O)C1.
What is the InChIKey of N-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine?
The InChIKey is JGGADHLSIDYLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S2/c1-10-8-3-4-9(7-8)13-5-6-14(2,11)12/h8-10H,3-7H2,1-2H3.
What are the key properties of N-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine?
N-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine is sourced from PubChem (CID 64725094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).