1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine

C11H23N3O3S — CID 55136220

IUPAC1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine
SMILESCOC1CNC(CN2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C11H23N3O3S/c1-17-11-7-10(12-8-11)9-13-3-5-14(6-4-13)18(2,15)16/h10-12H,3-9H2,1-2H3
InChIKeyWCODMILOUROZJZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP-1.06
Rot. Bonds4

About 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine

1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine (PubChem CID 55136220) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine
PubChem CID55136220
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine
SMILESCOC1CNC(CN2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C11H23N3O3S/c1-17-11-7-10(12-8-11)9-13-3-5-14(6-4-13)18(2,15)16/h10-12H,3-9H2,1-2H3
InChIKeyWCODMILOUROZJZ-UHFFFAOYSA-N
XLogP-1.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine (CID 55136220) is 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine is COC1CNC(CN2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine?
The InChIKey is WCODMILOUROZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-17-11-7-10(12-8-11)9-13-3-5-14(6-4-13)18(2,15)16/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine?
1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine has a molecular weight of 277.39 g/mol, XLogP of -1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxypyrrolidin-2-yl)methyl]-4-methylsulfonylpiperazine is sourced from PubChem (CID 55136220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).