tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate

C17H23N3O4S — CID 69231502

IUPACtert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C17H23N3O4S/c1-17(2,3)24-16(21)19-8-10-20(11-9-19)25(22,23)14-5-4-13-6-7-18-15(13)12-14/h4-7,12,18H,8-11H2,1-3H3
InChIKeySUNILLBRUQYANW-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.41
Rot. Bonds2

About tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate

tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate (PubChem CID 69231502) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate
PubChem CID69231502
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Nametert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C17H23N3O4S/c1-17(2,3)24-16(21)19-8-10-20(11-9-19)25(22,23)14-5-4-13-6-7-18-15(13)12-14/h4-7,12,18H,8-11H2,1-3H3
InChIKeySUNILLBRUQYANW-UHFFFAOYSA-N
XLogP2.41
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
CID 18761390
tert-butyl 4-[[5-(3,5-dimethylphenoxy)-1H-indol-6-yl]sulfonyl]piperazine-1-carboxylate
CID 59260732
tert-butyl 4-(4-chlorophenyl)sulfonylpiperazine-1-carboxylate
CID 2796253
2-tert-butyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylindole-1-carboxylic acid
CID 69415540
tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazine-1-carboxylate
CID 51301240
tert-butyl 4-(4-bromo-3-cyanophenyl)sulfonylpiperazine-1-carboxylate
CID 126574702
tert-butyl 4-(4-bromo-3-methylphenyl)sulfonyl-1,4-diazepane-1-carboxylate
CID 58901736
tert-butyl 4-[(6-chloro-3-pyridinyl)sulfonyl]piperazine-1-carboxylate
CID 11739940
tert-butyl 4-(4-bromo-3-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxylate
CID 58901884
tert-butyl 4-[4-(2-oxopropanoylamino)phenyl]sulfonylpiperazine-1-carboxylate
CID 56954614
trans-(1R,2R)-2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylphenyl]cyclopropane-1-carboxylic acid
CID 135349589
tert-butyl 4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperazine-1-carboxylate
CID 170143798

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate (CID 69231502) is tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate?
The InChIKey is SUNILLBRUQYANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-17(2,3)24-16(21)19-8-10-20(11-9-19)25(22,23)14-5-4-13-6-7-18-15(13)12-14/h4-7,12,18H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate?
tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate has a molecular weight of 365.46 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate is sourced from PubChem (CID 69231502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).