1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine

C11H24N2O2S — CID 58756819

IUPAC1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine
SMILESCC(C)CS(=O)(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H24N2O2S/c1-10(2)9-16(14,15)13-7-5-12(6-8-13)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeySNQRUGMIUXJKBR-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.00
Rot. Bonds4

About 1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine

1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine (PubChem CID 58756819) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine
PubChem CID58756819
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine
SMILESCC(C)CS(=O)(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H24N2O2S/c1-10(2)9-16(14,15)13-7-5-12(6-8-13)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeySNQRUGMIUXJKBR-UHFFFAOYSA-N
XLogP1.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine (CID 58756819) is 1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine is CC(C)CS(=O)(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine?
The InChIKey is SNQRUGMIUXJKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2)9-16(14,15)13-7-5-12(6-8-13)11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine?
1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfonyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 58756819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).