4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine

C16H24N2O2S — CID 90566974

IUPAC4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine
SMILESCC(C)S(=O)(=O)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C16H24N2O2S/c1-13(2)21(19,20)18-11-10-17(15-8-9-15)12-16(18)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3
InChIKeyQAONPDPBNZGMFR-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.25
Rot. Bonds4

About 4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine

4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine (PubChem CID 90566974) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine
PubChem CID90566974
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine
SMILESCC(C)S(=O)(=O)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C16H24N2O2S/c1-13(2)21(19,20)18-11-10-17(15-8-9-15)12-16(18)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3
InChIKeyQAONPDPBNZGMFR-UHFFFAOYSA-N
XLogP2.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine?
The IUPAC name of 4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine (CID 90566974) is 4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine.
What is the SMILES notation for 4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine?
The canonical SMILES for 4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine is CC(C)S(=O)(=O)N1CCN(C2CC2)CC1c1ccccc1.
What is the InChIKey of 4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine?
The InChIKey is QAONPDPBNZGMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-13(2)21(19,20)18-11-10-17(15-8-9-15)12-16(18)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine?
4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine has a molecular weight of 308.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine is sourced from PubChem (CID 90566974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).