cyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone

C16H29FN2O3S — CID 146149426

IUPACcyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)(CF)CS(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H29FN2O3S/c1-16(2,12-17)13-23(21,22)19-10-8-18(9-11-19)15(20)14-6-4-3-5-7-14/h14H,3-13H2,1-2H3
InChIKeyDTMFEBHZYYCCKG-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.04
Rot. Bonds5

About cyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone

cyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 146149426) has the molecular formula C16H29FN2O3S and a molecular weight of 348.48 g/mol. Its IUPAC name is cyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone
PubChem CID146149426
Molecular FormulaC16H29FN2O3S
Molecular Weight348.48 g/mol
Exact Mass348.19
IUPAC Namecyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)(CF)CS(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H29FN2O3S/c1-16(2,12-17)13-23(21,22)19-10-8-18(9-11-19)15(20)14-6-4-3-5-7-14/h14H,3-13H2,1-2H3
InChIKeyDTMFEBHZYYCCKG-UHFFFAOYSA-N
XLogP2.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone (CID 146149426) is cyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone is CC(C)(CF)CS(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is DTMFEBHZYYCCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2O3S/c1-16(2,12-17)13-23(21,22)19-10-8-18(9-11-19)15(20)14-6-4-3-5-7-14/h14H,3-13H2,1-2H3.
What are the key properties of cyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone?
cyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 348.48 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 146149426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).