cyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone

C18H26N2O4S — CID 110817546

IUPACcyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCC(C)(C)Oc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-18(2,3)24-15-6-8-16(9-7-15)25(22,23)20-12-10-19(11-13-20)17(21)14-4-5-14/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyMBIJZDYBGJPIST-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.11
Rot. Bonds4

About cyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone

cyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 110817546) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is cyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID110817546
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Namecyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCC(C)(C)Oc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-18(2,3)24-15-6-8-16(9-7-15)25(22,23)20-12-10-19(11-13-20)17(21)14-4-5-14/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyMBIJZDYBGJPIST-UHFFFAOYSA-N
XLogP2.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110817571
cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 2664075
cyclopropyl-[2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 55631115
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31190301
(1-methylsulfonylpiperidin-3-yl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 55555598
4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazine-1-carbaldehyde
CID 110757738
cyclopropyl-[2-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 55630204
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 9496499
[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797074
cyclopentyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 38838505
azepan-1-yl-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 35062852
ethyl 4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 1075480

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone (CID 110817546) is cyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone is CC(C)(C)Oc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of cyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is MBIJZDYBGJPIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-18(2,3)24-15-6-8-16(9-7-15)25(22,23)20-12-10-19(11-13-20)17(21)14-4-5-14/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of cyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone?
cyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 366.48 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 110817546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).