cyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone

C23H30N2O3S — CID 24944801

IUPACcyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
SMILESCC1(C)CN(S(=O)(=O)c2cccc3ccccc23)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C23H30N2O3S/c1-23(2)17-24(15-16-25(23)22(26)19-10-4-3-5-11-19)29(27,28)21-14-8-12-18-9-6-7-13-20(18)21/h6-9,12-14,19H,3-5,10-11,15-17H2,1-2H3
InChIKeyWNJDEXBWZNHXJT-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.03
Rot. Bonds3

About cyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone

cyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 24944801) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is cyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
PubChem CID24944801
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Namecyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
SMILESCC1(C)CN(S(=O)(=O)c2cccc3ccccc23)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C23H30N2O3S/c1-23(2)17-24(15-16-25(23)22(26)19-10-4-3-5-11-19)29(27,28)21-14-8-12-18-9-6-7-13-20(18)21/h6-9,12-14,19H,3-5,10-11,15-17H2,1-2H3
InChIKeyWNJDEXBWZNHXJT-UHFFFAOYSA-N
XLogP4.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of cyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone (CID 24944801) is cyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone is CC1(C)CN(S(=O)(=O)c2cccc3ccccc23)CCN1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is WNJDEXBWZNHXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-23(2)17-24(15-16-25(23)22(26)19-10-4-3-5-11-19)29(27,28)21-14-8-12-18-9-6-7-13-20(18)21/h6-9,12-14,19H,3-5,10-11,15-17H2,1-2H3.
What are the key properties of cyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
cyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 414.57 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2,2-dimethyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 24944801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).