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

C13H27N3O2S — CID 65044902

IUPAC[1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
SMILESCC1CN(C2(CN)CCCC2S(C)(=O)=O)CCN1C
InChIInChI=1S/C13H27N3O2S/c1-11-9-16(8-7-15(11)2)13(10-14)6-4-5-12(13)19(3,17)18/h11-12H,4-10,14H2,1-3H3
InChIKeyHPJVIINFZHMTGN-UHFFFAOYSA-N
MW289.44 g/mol
LogP-0.08
Rot. Bonds3

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

[1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine (PubChem CID 65044902) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is [1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
PubChem CID65044902
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name[1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
SMILESCC1CN(C2(CN)CCCC2S(C)(=O)=O)CCN1C
InChIInChI=1S/C13H27N3O2S/c1-11-9-16(8-7-15(11)2)13(10-14)6-4-5-12(13)19(3,17)18/h11-12H,4-10,14H2,1-3H3
InChIKeyHPJVIINFZHMTGN-UHFFFAOYSA-N
XLogP-0.08
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 79188215
[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
[1-(2,6-dimethylthiomorpholin-4-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65044750
[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
[4-tert-butyl-1-(3,4-dimethylpiperazin-1-yl)cycloheptyl]methanamine
CID 65089417
[1-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847121
1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045771
1-(aminomethyl)-N-(2-methoxyethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044744
[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone
CID 63609214

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
The IUPAC name of [1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine (CID 65044902) is [1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine.
What is the SMILES notation for [1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
The canonical SMILES for [1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine is CC1CN(C2(CN)CCCC2S(C)(=O)=O)CCN1C.
What is the InChIKey of [1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
The InChIKey is HPJVIINFZHMTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-11-9-16(8-7-15(11)2)13(10-14)6-4-5-12(13)19(3,17)18/h11-12H,4-10,14H2,1-3H3.
What are the key properties of [1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
[1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine has a molecular weight of 289.44 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine is sourced from PubChem (CID 65044902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).