1'-butylsulfonylspiro[indene-1,4'-piperidine]

C17H23NO2S — CID 10335267

IUPAC1'-butylsulfonylspiro[indene-1,4'-piperidine]
SMILESCCCCS(=O)(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C17H23NO2S/c1-2-3-14-21(19,20)18-12-10-17(11-13-18)9-8-15-6-4-5-7-16(15)17/h4-9H,2-3,10-14H2,1H3
InChIKeyNPTPHUDYDLFRTH-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.18
Rot. Bonds4

About 1'-butylsulfonylspiro[indene-1,4'-piperidine]

1'-butylsulfonylspiro[indene-1,4'-piperidine] (PubChem CID 10335267) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1'-butylsulfonylspiro[indene-1,4'-piperidine].

Molecular Properties

Compound Name1'-butylsulfonylspiro[indene-1,4'-piperidine]
PubChem CID10335267
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name1'-butylsulfonylspiro[indene-1,4'-piperidine]
SMILESCCCCS(=O)(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C17H23NO2S/c1-2-3-14-21(19,20)18-12-10-17(11-13-18)9-8-15-6-4-5-7-16(15)17/h4-9H,2-3,10-14H2,1H3
InChIKeyNPTPHUDYDLFRTH-UHFFFAOYSA-N
XLogP3.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-butylsulfonylspiro[indene-1,4'-piperidine]?
The IUPAC name of 1'-butylsulfonylspiro[indene-1,4'-piperidine] (CID 10335267) is 1'-butylsulfonylspiro[indene-1,4'-piperidine].
What is the SMILES notation for 1'-butylsulfonylspiro[indene-1,4'-piperidine]?
The canonical SMILES for 1'-butylsulfonylspiro[indene-1,4'-piperidine] is CCCCS(=O)(=O)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 1'-butylsulfonylspiro[indene-1,4'-piperidine]?
The InChIKey is NPTPHUDYDLFRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-2-3-14-21(19,20)18-12-10-17(11-13-18)9-8-15-6-4-5-7-16(15)17/h4-9H,2-3,10-14H2,1H3.
What are the key properties of 1'-butylsulfonylspiro[indene-1,4'-piperidine]?
1'-butylsulfonylspiro[indene-1,4'-piperidine] has a molecular weight of 305.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butylsulfonylspiro[indene-1,4'-piperidine] is sourced from PubChem (CID 10335267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).