1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]

C19H26N2O3S — CID 135087813

IUPAC1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]
SMILESCCCCS(=O)(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12
InChIInChI=1S/C19H26N2O3S/c1-2-3-14-25(22,23)21-11-9-19(10-12-21)18-16(8-13-24-19)15-6-4-5-7-17(15)20-18/h4-7,20H,2-3,8-14H2,1H3
InChIKeyOGNZWHJOSRLKMT-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.16
Rot. Bonds4

About 1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]

1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine] (PubChem CID 135087813) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine].

Molecular Properties

Compound Name1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]
PubChem CID135087813
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]
SMILESCCCCS(=O)(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12
InChIInChI=1S/C19H26N2O3S/c1-2-3-14-25(22,23)21-11-9-19(10-12-21)18-16(8-13-24-19)15-6-4-5-7-17(15)20-18/h4-7,20H,2-3,8-14H2,1H3
InChIKeyOGNZWHJOSRLKMT-UHFFFAOYSA-N
XLogP3.16
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]?
The IUPAC name of 1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine] (CID 135087813) is 1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine].
What is the SMILES notation for 1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]?
The canonical SMILES for 1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine] is CCCCS(=O)(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12.
What is the InChIKey of 1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]?
The InChIKey is OGNZWHJOSRLKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-2-3-14-25(22,23)21-11-9-19(10-12-21)18-16(8-13-24-19)15-6-4-5-7-17(15)20-18/h4-7,20H,2-3,8-14H2,1H3.
What are the key properties of 1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]?
1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine] has a molecular weight of 362.50 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine] is sourced from PubChem (CID 135087813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).