1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine

C14H22N2OS — CID 167474069

IUPAC1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine
SMILESCC(C)c1ccc(S(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N2OS/c1-12(2)13-4-6-14(7-5-13)18(17)16-10-8-15(3)9-11-16/h4-7,12H,8-11H2,1-3H3
InChIKeyAONYJYCTVITKKX-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.08
Rot. Bonds3

About 1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine

1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine (PubChem CID 167474069) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine.

Molecular Properties

Compound Name1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine
PubChem CID167474069
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine
SMILESCC(C)c1ccc(S(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N2OS/c1-12(2)13-4-6-14(7-5-13)18(17)16-10-8-15(3)9-11-16/h4-7,12H,8-11H2,1-3H3
InChIKeyAONYJYCTVITKKX-UHFFFAOYSA-N
XLogP2.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol
CID 156877679
(Z)-tert-butyl-methoxy-[[4-(4-methylpiperazin-1-yl)sulfinylphenyl]methylidene]azanium
CID 143094573
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione
CID 94283329
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
ethane;1-(4-methylphenyl)sulfinylpiperidine
CID 178050291
(2S)-2-(4-methylpiperazin-1-yl)-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
CID 680060
1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)
CID 158500114
1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine
CID 83978752
cumene;methane;1-methylpiperidine
CID 177007302
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 59135295
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 43228365

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine?
The IUPAC name of 1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine (CID 167474069) is 1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine.
What is the SMILES notation for 1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine?
The canonical SMILES for 1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine is CC(C)c1ccc(S(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine?
The InChIKey is AONYJYCTVITKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-12(2)13-4-6-14(7-5-13)18(17)16-10-8-15(3)9-11-16/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine?
1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine has a molecular weight of 266.41 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-propan-2-ylphenyl)sulfinylpiperazine is sourced from PubChem (CID 167474069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).