1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine

C12H25N3O3S — CID 131937082

IUPAC1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCOCCCN1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C12H25N3O3S/c1-18-12-4-5-13-8-10-15(11-9-13)19(16,17)14-6-2-3-7-14/h2-12H2,1H3
InChIKeyMQKZYQYURCNTKG-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.02
Rot. Bonds6

About 1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine

1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine (PubChem CID 131937082) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine
PubChem CID131937082
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCOCCCN1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C12H25N3O3S/c1-18-12-4-5-13-8-10-15(11-9-13)19(16,17)14-6-2-3-7-14/h2-12H2,1H3
InChIKeyMQKZYQYURCNTKG-UHFFFAOYSA-N
XLogP-0.02
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.02
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 1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
The IUPAC name of 1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine (CID 131937082) is 1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
The canonical SMILES for 1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine is COCCCN1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
The InChIKey is MQKZYQYURCNTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-18-12-4-5-13-8-10-15(11-9-13)19(16,17)14-6-2-3-7-14/h2-12H2,1H3.
What are the key properties of 1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine?
1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine has a molecular weight of 291.42 g/mol, XLogP of -0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4-pyrrolidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 131937082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).