[1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine

C13H26N2O2S — CID 79188215

IUPAC[1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
SMILESCC1CN(C2(CN)CCCC2S(C)(=O)=O)CC1C
InChIInChI=1S/C13H26N2O2S/c1-10-7-15(8-11(10)2)13(9-14)6-4-5-12(13)18(3,16)17/h10-12H,4-9,14H2,1-3H3
InChIKeyWLPGZYPFGRNCGM-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.87
Rot. Bonds3

About [1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine

[1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine (PubChem CID 79188215) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is [1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
PubChem CID79188215
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name[1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
SMILESCC1CN(C2(CN)CCCC2S(C)(=O)=O)CC1C
InChIInChI=1S/C13H26N2O2S/c1-10-7-15(8-11(10)2)13(9-14)6-4-5-12(13)18(3,16)17/h10-12H,4-9,14H2,1-3H3
InChIKeyWLPGZYPFGRNCGM-UHFFFAOYSA-N
XLogP0.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,6-dimethylthiomorpholin-4-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65044750
[1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65044902
[1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65045721
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 79917984
[2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine
CID 65045007
[1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65045929
[1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65045419
[1-(3,4-dimethylpyrrolidin-1-yl)-2-ethylcyclohexyl]methanamine
CID 79188119
1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045771
1-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465442
[1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 82853079
[3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 79188405

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
The IUPAC name of [1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine (CID 79188215) is [1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine.
What is the SMILES notation for [1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
The canonical SMILES for [1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine is CC1CN(C2(CN)CCCC2S(C)(=O)=O)CC1C.
What is the InChIKey of [1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
The InChIKey is WLPGZYPFGRNCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-10-7-15(8-11(10)2)13(9-14)6-4-5-12(13)18(3,16)17/h10-12H,4-9,14H2,1-3H3.
What are the key properties of [1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
[1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine has a molecular weight of 274.43 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine is sourced from PubChem (CID 79188215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).