2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine

C11H25N3O2S — CID 62992920

IUPAC2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H25N3O2S/c1-11(2,3)12-5-6-13-7-9-14(10-8-13)17(4,15)16/h12H,5-10H2,1-4H3
InChIKeyMNGXLEVRMAZZFF-UHFFFAOYSA-N
MW263.41 g/mol
LogP-0.05
Rot. Bonds4

About 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine

2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine (PubChem CID 62992920) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine
PubChem CID62992920
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H25N3O2S/c1-11(2,3)12-5-6-13-7-9-14(10-8-13)17(4,15)16/h12H,5-10H2,1-4H3
InChIKeyMNGXLEVRMAZZFF-UHFFFAOYSA-N
XLogP-0.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine (CID 62992920) is 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine is CC(C)(C)NCCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine?
The InChIKey is MNGXLEVRMAZZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-11(2,3)12-5-6-13-7-9-14(10-8-13)17(4,15)16/h12H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine has a molecular weight of 263.41 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 62992920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).