tert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate

C19H30N2O4S — CID 8819198

IUPACtert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O4S/c1-15(2)16-6-8-17(9-7-16)26(23,24)21-12-10-20(11-13-21)14-18(22)25-19(3,4)5/h6-9,15H,10-14H2,1-5H3
InChIKeyUMXGBJOKADSIMX-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.46
Rot. Bonds5

About tert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate

tert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate (PubChem CID 8819198) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is tert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate
PubChem CID8819198
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Nametert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O4S/c1-15(2)16-6-8-17(9-7-16)26(23,24)21-12-10-20(11-13-21)14-18(22)25-19(3,4)5/h6-9,15H,10-14H2,1-5H3
InChIKeyUMXGBJOKADSIMX-UHFFFAOYSA-N
XLogP2.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 71902944
2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride
CID 120847370
tert-butyl 2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetate
CID 8689315
N-(propan-2-ylcarbamoyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8796879
tert-butyl 2-[4-[3-(2-oxoethyl)phenyl]sulfonylpiperazin-1-yl]acetate
CID 160624286
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
tert-butyl 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetate
CID 8771407
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 8819185
N-(2,6-dimethylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71902945
1-propan-2-yloxy-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 78782762
N-(2,3-dimethylcyclohexyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 42913737
N-[(4-methoxyphenyl)carbamoyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27202687

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate (CID 8819198) is tert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate is CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate?
The InChIKey is UMXGBJOKADSIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-15(2)16-6-8-17(9-7-16)26(23,24)21-12-10-20(11-13-21)14-18(22)25-19(3,4)5/h6-9,15H,10-14H2,1-5H3.
What are the key properties of tert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate?
tert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate has a molecular weight of 382.53 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate is sourced from PubChem (CID 8819198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).