4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine

C11H25N3O3S — CID 62992215

IUPAC4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine
SMILESCOCCC(C)(CN)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H25N3O3S/c1-11(10-12,4-9-17-2)13-5-7-14(8-6-13)18(3,15)16/h4-10,12H2,1-3H3
InChIKeyBBMWSVCOAHBKOG-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.68
Rot. Bonds6

About 4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine

4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine (PubChem CID 62992215) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine
PubChem CID62992215
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine
SMILESCOCCC(C)(CN)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H25N3O3S/c1-11(10-12,4-9-17-2)13-5-7-14(8-6-13)18(3,15)16/h4-10,12H2,1-3H3
InChIKeyBBMWSVCOAHBKOG-UHFFFAOYSA-N
XLogP-0.68
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine (CID 62992215) is 4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine is COCCC(C)(CN)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine?
The InChIKey is BBMWSVCOAHBKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-11(10-12,4-9-17-2)13-5-7-14(8-6-13)18(3,15)16/h4-10,12H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine?
4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine has a molecular weight of 279.41 g/mol, XLogP of -0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 62992215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).