3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one

C10H20N2O3S — CID 63662895

IUPAC3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one
SMILESCC(C)CCS(=O)(=O)N1CCNC(=O)C1C
InChIInChI=1S/C10H20N2O3S/c1-8(2)4-7-16(14,15)12-6-5-11-10(13)9(12)3/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyOKAGNNLXKZSCMO-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.18
Rot. Bonds4

About 3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one

3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one (PubChem CID 63662895) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one
PubChem CID63662895
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one
SMILESCC(C)CCS(=O)(=O)N1CCNC(=O)C1C
InChIInChI=1S/C10H20N2O3S/c1-8(2)4-7-16(14,15)12-6-5-11-10(13)9(12)3/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyOKAGNNLXKZSCMO-UHFFFAOYSA-N
XLogP0.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one (CID 63662895) is 3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one is CC(C)CCS(=O)(=O)N1CCNC(=O)C1C.
What is the InChIKey of 3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one?
The InChIKey is OKAGNNLXKZSCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(2)4-7-16(14,15)12-6-5-11-10(13)9(12)3/h8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one?
3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one has a molecular weight of 248.35 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one is sourced from PubChem (CID 63662895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).