tert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate

C17H25N3O4S — CID 170143969

IUPACtert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate
SMILESC=Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1
InChIInChI=1S/C17H25N3O4S/c1-6-14-7-8-15(13(2)18-14)25(22,23)20-11-9-19(10-12-20)16(21)24-17(3,4)5/h6-8H,1,9-12H2,2-5H3
InChIKeyLSTVPTUCZOMZKD-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.27
Rot. Bonds3

About tert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate

tert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate (PubChem CID 170143969) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is tert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate
PubChem CID170143969
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Nametert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate
SMILESC=Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1
InChIInChI=1S/C17H25N3O4S/c1-6-14-7-8-15(13(2)18-14)25(22,23)20-11-9-19(10-12-20)16(21)24-17(3,4)5/h6-8H,1,9-12H2,2-5H3
InChIKeyLSTVPTUCZOMZKD-UHFFFAOYSA-N
XLogP2.27
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate
CID 170143798
tert-butyl 4-(2,4-diaminophenyl)sulfonylpiperazine-1-carboxylate
CID 58901777
tert-butyl 4-(2-bromophenyl)sulfonylpiperazine-1-carboxylate
CID 46743486
tert-butyl 4-(2-bromo-5-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 59152078
tert-butyl 4-(4-chlorophenyl)sulfonylpiperazine-1-carboxylate
CID 2796253
tert-butyl 4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine-1-carboxylate
CID 17380419
tert-butyl 2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane-6-carboxylate
CID 169160995
4-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylbenzoic acid
CID 45328397
tert-butyl 4-[(6-chloro-3-pyridinyl)sulfonyl]piperazine-1-carboxylate
CID 11739940
tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate
CID 69231502
tert-butyl 4-(2-piperidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate
CID 55527282
tert-butyl 4-chlorosulfonylpiperazine-1-carboxylate
CID 22914649

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate (CID 170143969) is tert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate is C=Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1.
What is the InChIKey of tert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate?
The InChIKey is LSTVPTUCZOMZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-6-14-7-8-15(13(2)18-14)25(22,23)20-11-9-19(10-12-20)16(21)24-17(3,4)5/h6-8H,1,9-12H2,2-5H3.
What are the key properties of tert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate?
tert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate has a molecular weight of 367.47 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-ethenyl-2-methyl-3-pyridinyl)sulfonyl]piperazine-1-carboxylate is sourced from PubChem (CID 170143969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).