3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine

C10H23N3O3S — CID 55133510

IUPAC3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
SMILESCOCC(C)(CN)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H23N3O3S/c1-10(8-11,9-16-2)12-4-6-13(7-5-12)17(3,14)15/h4-9,11H2,1-3H3
InChIKeyKVMUYWGCYGZBIK-UHFFFAOYSA-N
MW265.38 g/mol
LogP-1.07
Rot. Bonds5

About 3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine

3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine (PubChem CID 55133510) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
PubChem CID55133510
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
SMILESCOCC(C)(CN)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H23N3O3S/c1-10(8-11,9-16-2)12-4-6-13(7-5-12)17(3,14)15/h4-9,11H2,1-3H3
InChIKeyKVMUYWGCYGZBIK-UHFFFAOYSA-N
XLogP-1.07
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine (CID 55133510) is 3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine is COCC(C)(CN)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
The InChIKey is KVMUYWGCYGZBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-10(8-11,9-16-2)12-4-6-13(7-5-12)17(3,14)15/h4-9,11H2,1-3H3.
What are the key properties of 3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine has a molecular weight of 265.38 g/mol, XLogP of -1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 55133510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).