1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine

C15H32N2O2S — CID 138601285

IUPAC1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine
SMILESCCCCC(C)N1CCN(CCS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C15H32N2O2S/c1-5-6-7-15(4)17-10-8-16(9-11-17)12-13-20(18,19)14(2)3/h14-15H,5-13H2,1-4H3
InChIKeyKBDAILQOQJBWBV-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.01
Rot. Bonds8

About 1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine

1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine (PubChem CID 138601285) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine.

Molecular Properties

Compound Name1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine
PubChem CID138601285
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC Name1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine
SMILESCCCCC(C)N1CCN(CCS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C15H32N2O2S/c1-5-6-7-15(4)17-10-8-16(9-11-17)12-13-20(18,19)14(2)3/h14-15H,5-13H2,1-4H3
InChIKeyKBDAILQOQJBWBV-UHFFFAOYSA-N
XLogP2.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine?
The IUPAC name of 1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine (CID 138601285) is 1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine.
What is the SMILES notation for 1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine?
The canonical SMILES for 1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine is CCCCC(C)N1CCN(CCS(=O)(=O)C(C)C)CC1.
What is the InChIKey of 1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine?
The InChIKey is KBDAILQOQJBWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-5-6-7-15(4)17-10-8-16(9-11-17)12-13-20(18,19)14(2)3/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine?
1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine has a molecular weight of 304.50 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-4-(2-propan-2-ylsulfonylethyl)piperazine is sourced from PubChem (CID 138601285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).