1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine

C17H34N2O2S — CID 75408403

IUPAC1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(CCCS(C)(=O)=O)CC2)CC1
InChIInChI=1S/C17H34N2O2S/c1-15(2)16-5-7-17(8-6-16)19-12-10-18(11-13-19)9-4-14-22(3,20)21/h15-17H,4-14H2,1-3H3
InChIKeyCMXNCOCJENHOBE-UHFFFAOYSA-N
MW330.54 g/mol
LogP2.25
Rot. Bonds6

About 1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine

1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine (PubChem CID 75408403) has the molecular formula C17H34N2O2S and a molecular weight of 330.54 g/mol. Its IUPAC name is 1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine
PubChem CID75408403
Molecular FormulaC17H34N2O2S
Molecular Weight330.54 g/mol
Exact Mass330.23
IUPAC Name1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(CCCS(C)(=O)=O)CC2)CC1
InChIInChI=1S/C17H34N2O2S/c1-15(2)16-5-7-17(8-6-16)19-12-10-18(11-13-19)9-4-14-22(3,20)21/h15-17H,4-14H2,1-3H3
InChIKeyCMXNCOCJENHOBE-UHFFFAOYSA-N
XLogP2.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The IUPAC name of 1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine (CID 75408403) is 1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine.
What is the SMILES notation for 1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The canonical SMILES for 1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine is CC(C)C1CCC(N2CCN(CCCS(C)(=O)=O)CC2)CC1.
What is the InChIKey of 1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The InChIKey is CMXNCOCJENHOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2S/c1-15(2)16-5-7-17(8-6-16)19-12-10-18(11-13-19)9-4-14-22(3,20)21/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine has a molecular weight of 330.54 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylpropyl)-4-(4-propan-2-ylcyclohexyl)piperazine is sourced from PubChem (CID 75408403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).