ethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate

C18H24N2O5S — CID 4187869

IUPACethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1
InChIInChI=1S/C18H24N2O5S/c1-3-25-18(22)14-6-9-19(10-7-14)26(23,24)16-4-5-17-15(12-16)8-11-20(17)13(2)21/h4-5,12,14H,3,6-11H2,1-2H3
InChIKeyGXZRUIDRRMXFSI-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.56
Rot. Bonds4

About ethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate

ethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate (PubChem CID 4187869) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is ethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate
PubChem CID4187869
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Nameethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1
InChIInChI=1S/C18H24N2O5S/c1-3-25-18(22)14-6-9-19(10-7-14)26(23,24)16-4-5-17-15(12-16)8-11-20(17)13(2)21/h4-5,12,14H,3,6-11H2,1-2H3
InChIKeyGXZRUIDRRMXFSI-UHFFFAOYSA-N
XLogP1.56
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate (CID 4187869) is ethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1.
What is the InChIKey of ethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate?
The InChIKey is GXZRUIDRRMXFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-3-25-18(22)14-6-9-19(10-7-14)26(23,24)16-4-5-17-15(12-16)8-11-20(17)13(2)21/h4-5,12,14H,3,6-11H2,1-2H3.
What are the key properties of ethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate?
ethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate has a molecular weight of 380.47 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxylate is sourced from PubChem (CID 4187869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).