3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine

C13H27N3O2S — CID 79642967

IUPAC3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C13H27N3O2S/c1-3-6-14-12-4-5-13(11-12)15-7-9-16(10-8-15)19(2,17)18/h12-14H,3-11H2,1-2H3
InChIKeyHFYXPGVALOXJMQ-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.48
Rot. Bonds5

About 3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine

3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine (PubChem CID 79642967) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine
PubChem CID79642967
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C13H27N3O2S/c1-3-6-14-12-4-5-13(11-12)15-7-9-16(10-8-15)19(2,17)18/h12-14H,3-11H2,1-2H3
InChIKeyHFYXPGVALOXJMQ-UHFFFAOYSA-N
XLogP0.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine (CID 79642967) is 3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine is CCCNC1CCC(N2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine?
The InChIKey is HFYXPGVALOXJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-3-6-14-12-4-5-13(11-12)15-7-9-16(10-8-15)19(2,17)18/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine?
3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79642967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).