N-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine

C13H19NO2S2 — CID 64723286

IUPACN-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine
SMILESCNC1CCC(Sc2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C13H19NO2S2/c1-14-10-3-4-12(9-10)17-11-5-7-13(8-6-11)18(2,15)16/h5-8,10,12,14H,3-4,9H2,1-2H3
InChIKeyRWHKOPMONZKQJP-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.32
Rot. Bonds4

About N-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine

N-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine (PubChem CID 64723286) has the molecular formula C13H19NO2S2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine
PubChem CID64723286
Molecular FormulaC13H19NO2S2
Molecular Weight285.43 g/mol
Exact Mass285.09
IUPAC NameN-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine
SMILESCNC1CCC(Sc2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C13H19NO2S2/c1-14-10-3-4-12(9-10)17-11-5-7-13(8-6-11)18(2,15)16/h5-8,10,12,14H,3-4,9H2,1-2H3
InChIKeyRWHKOPMONZKQJP-UHFFFAOYSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine?
The IUPAC name of N-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine (CID 64723286) is N-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine?
The canonical SMILES for N-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine is CNC1CCC(Sc2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of N-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine?
The InChIKey is RWHKOPMONZKQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S2/c1-14-10-3-4-12(9-10)17-11-5-7-13(8-6-11)18(2,15)16/h5-8,10,12,14H,3-4,9H2,1-2H3.
What are the key properties of N-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine?
N-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylsulfonylphenyl)sulfanylcyclopentan-1-amine is sourced from PubChem (CID 64723286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).