3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine

C11H25N3O3S — CID 55010070

IUPAC3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCOCCS(=O)(=O)N1CCN(CC(C)CN)CC1
InChIInChI=1S/C11H25N3O3S/c1-11(9-12)10-13-3-5-14(6-4-13)18(15,16)8-7-17-2/h11H,3-10,12H2,1-2H3
InChIKeyMVDOXHLUDJGXOB-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.82
Rot. Bonds7

About 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine

3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 55010070) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID55010070
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCOCCS(=O)(=O)N1CCN(CC(C)CN)CC1
InChIInChI=1S/C11H25N3O3S/c1-11(9-12)10-13-3-5-14(6-4-13)18(15,16)8-7-17-2/h11H,3-10,12H2,1-2H3
InChIKeyMVDOXHLUDJGXOB-UHFFFAOYSA-N
XLogP-0.82
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine (CID 55010070) is 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine is COCCS(=O)(=O)N1CCN(CC(C)CN)CC1.
What is the InChIKey of 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is MVDOXHLUDJGXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-11(9-12)10-13-3-5-14(6-4-13)18(15,16)8-7-17-2/h11H,3-10,12H2,1-2H3.
What are the key properties of 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine?
3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 279.41 g/mol, XLogP of -0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 55010070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).