N,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide

C22H35N3O4S — CID 90034539

IUPACN,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)C(C)(C)COC)c2c1C1(CCNCC1)CN2
InChIInChI=1S/C22H35N3O4S/c1-6-25(7-2)30(27,28)17-9-8-16(20(26)21(3,4)15-29-5)19-18(17)22(14-24-19)10-12-23-13-11-22/h8-9,23-24H,6-7,10-15H2,1-5H3
InChIKeyHVEYIDRXAQDHBZ-UHFFFAOYSA-N
MW437.61 g/mol
LogP2.62
Rot. Bonds8

About N,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide

N,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide (PubChem CID 90034539) has the molecular formula C22H35N3O4S and a molecular weight of 437.61 g/mol. Its IUPAC name is N,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide
PubChem CID90034539
Molecular FormulaC22H35N3O4S
Molecular Weight437.61 g/mol
Exact Mass437.23
IUPAC NameN,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)C(C)(C)COC)c2c1C1(CCNCC1)CN2
InChIInChI=1S/C22H35N3O4S/c1-6-25(7-2)30(27,28)17-9-8-16(20(26)21(3,4)15-29-5)19-18(17)22(14-24-19)10-12-23-13-11-22/h8-9,23-24H,6-7,10-15H2,1-5H3
InChIKeyHVEYIDRXAQDHBZ-UHFFFAOYSA-N
XLogP2.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide?
The IUPAC name of N,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide (CID 90034539) is N,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide.
What is the SMILES notation for N,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide?
The canonical SMILES for N,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)C(C)(C)COC)c2c1C1(CCNCC1)CN2.
What is the InChIKey of N,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide?
The InChIKey is HVEYIDRXAQDHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4S/c1-6-25(7-2)30(27,28)17-9-8-16(20(26)21(3,4)15-29-5)19-18(17)22(14-24-19)10-12-23-13-11-22/h8-9,23-24H,6-7,10-15H2,1-5H3.
What are the key properties of N,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide?
N,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide has a molecular weight of 437.61 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7-(3-methoxy-2,2-dimethylpropanoyl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-sulfonamide is sourced from PubChem (CID 90034539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).