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

C11H23N3O3S — CID 47790291

IUPAC2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-10(2)11(15)12-4-5-13-6-8-14(9-7-13)18(3,16)17/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyYJRFAYFBIIHWJK-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.66
Rot. Bonds5

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

2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propanamide (PubChem CID 47790291) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propanamide
PubChem CID47790291
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-10(2)11(15)12-4-5-13-6-8-14(9-7-13)18(3,16)17/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyYJRFAYFBIIHWJK-UHFFFAOYSA-N
XLogP-0.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.66
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]propanamide?
The IUPAC name of 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propanamide (CID 47790291) is 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propanamide is CC(C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is YJRFAYFBIIHWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-10(2)11(15)12-4-5-13-6-8-14(9-7-13)18(3,16)17/h10H,4-9H2,1-3H3,(H,12,15).
What are the key properties of 2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propanamide?
2-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 277.39 g/mol, XLogP of -0.66, 5 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]propanamide is sourced from PubChem (CID 47790291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).