1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]

C17H25NO2S — CID 163880046

IUPAC1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCCCCS(=O)(=O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C17H25NO2S/c1-2-3-14-21(19,20)18-12-10-17(11-13-18)9-8-15-6-4-5-7-16(15)17/h4-7H,2-3,8-14H2,1H3
InChIKeyPSJRGZXNXPFAHS-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.10
Rot. Bonds4

About 1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]

1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 163880046) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID163880046
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCCCCS(=O)(=O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C17H25NO2S/c1-2-3-14-21(19,20)18-12-10-17(11-13-18)9-8-15-6-4-5-7-16(15)17/h4-7H,2-3,8-14H2,1H3
InChIKeyPSJRGZXNXPFAHS-UHFFFAOYSA-N
XLogP3.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1'-propylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-amine
CID 134074302
(1S,2R,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 10386472
(2R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 70073095
4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine
CID 110637889
1-butylsulfonyl-4-methyl-2,3-dihydroquinolin-4-ol
CID 110709649
2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]
CID 110667496
1'-[[(1S,4R)-7,7-dimethyl-2-nitroso-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]spiro[1,2-dihydroindene-3,4'-piperidine]
CID 91929295
1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]
CID 135087813
1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
CID 110819064
4-butylsulfonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365240
1'-butylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618746
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084

Frequently Asked Questions

What is the IUPAC name of 1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of 1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine] (CID 163880046) is 1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine] is CCCCS(=O)(=O)N1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is PSJRGZXNXPFAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-2-3-14-21(19,20)18-12-10-17(11-13-18)9-8-15-6-4-5-7-16(15)17/h4-7H,2-3,8-14H2,1H3.
What are the key properties of 1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]?
1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 307.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 163880046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).