methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate

C15H19N3O5S — CID 110818534

IUPACmethyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1
InChIInChI=1S/C15H19N3O5S/c1-16-13-4-3-12(9-11(13)10-14(16)19)24(21,22)18-7-5-17(6-8-18)15(20)23-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyJYBLMQYCSJGUBN-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.28
Rot. Bonds2

About methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate

methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate (PubChem CID 110818534) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate
PubChem CID110818534
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Namemethyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1
InChIInChI=1S/C15H19N3O5S/c1-16-13-4-3-12(9-11(13)10-14(16)19)24(21,22)18-7-5-17(6-8-18)15(20)23-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyJYBLMQYCSJGUBN-UHFFFAOYSA-N
XLogP0.28
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
CID 110818539
1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one
CID 110721628
5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one
CID 62916095
5-[4-(4-ethylphenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one
CID 113075964
1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one
CID 113098307
methyl 4-(4-fluoro-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818499
methyl 4-(3-amino-4-fluorophenyl)sulfonylpiperazine-1-carboxylate
CID 61126039
1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one
CID 65448429
1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one
CID 110804490
methyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 110818596
methyl 4-(1-methylbenzimidazol-5-yl)sulfonylpiperazine-1-carboxylate
CID 110818613
5-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-3H-indol-2-one
CID 110640995

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate (CID 110818534) is methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate is COC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1.
What is the InChIKey of methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate?
The InChIKey is JYBLMQYCSJGUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-16-13-4-3-12(9-11(13)10-14(16)19)24(21,22)18-7-5-17(6-8-18)15(20)23-2/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate?
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate has a molecular weight of 353.40 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate is sourced from PubChem (CID 110818534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).