4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine

C15H30N2O3S — CID 110616538

IUPAC4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
SMILESCOCCCN1C(C)CN(S(=O)(=O)C2CCCC2)CC1C
InChIInChI=1S/C15H30N2O3S/c1-13-11-16(21(18,19)15-7-4-5-8-15)12-14(2)17(13)9-6-10-20-3/h13-15H,4-12H2,1-3H3
InChIKeyZQHUNKYLYVKPSL-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.69
Rot. Bonds6

About 4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine

4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine (PubChem CID 110616538) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
PubChem CID110616538
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
SMILESCOCCCN1C(C)CN(S(=O)(=O)C2CCCC2)CC1C
InChIInChI=1S/C15H30N2O3S/c1-13-11-16(21(18,19)15-7-4-5-8-15)12-14(2)17(13)9-6-10-20-3/h13-15H,4-12H2,1-3H3
InChIKeyZQHUNKYLYVKPSL-UHFFFAOYSA-N
XLogP1.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine?
The IUPAC name of 4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine (CID 110616538) is 4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine.
What is the SMILES notation for 4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine?
The canonical SMILES for 4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine is COCCCN1C(C)CN(S(=O)(=O)C2CCCC2)CC1C.
What is the InChIKey of 4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine?
The InChIKey is ZQHUNKYLYVKPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-13-11-16(21(18,19)15-7-4-5-8-15)12-14(2)17(13)9-6-10-20-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine?
4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine has a molecular weight of 318.48 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine is sourced from PubChem (CID 110616538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).