1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide

C18H27N3O3S — CID 97400747

IUPAC1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide
SMILESCCS(=O)(=O)N1CCC2(CC1)CN(C(=O)N(C)C)Cc1ccccc12
InChIInChI=1S/C18H27N3O3S/c1-4-25(23,24)21-11-9-18(10-12-21)14-20(17(22)19(2)3)13-15-7-5-6-8-16(15)18/h5-8H,4,9-14H2,1-3H3
InChIKeySLPRTYLKHISRRG-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.87
Rot. Bonds2

About 1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide

1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide (PubChem CID 97400747) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound Name1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide
PubChem CID97400747
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide
SMILESCCS(=O)(=O)N1CCC2(CC1)CN(C(=O)N(C)C)Cc1ccccc12
InChIInChI=1S/C18H27N3O3S/c1-4-25(23,24)21-11-9-18(10-12-21)14-20(17(22)19(2)3)13-15-7-5-6-8-16(15)18/h5-8H,4,9-14H2,1-3H3
InChIKeySLPRTYLKHISRRG-UHFFFAOYSA-N
XLogP1.87
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide?
The IUPAC name of 1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide (CID 97400747) is 1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide.
What is the SMILES notation for 1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide?
The canonical SMILES for 1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide is CCS(=O)(=O)N1CCC2(CC1)CN(C(=O)N(C)C)Cc1ccccc12.
What is the InChIKey of 1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide?
The InChIKey is SLPRTYLKHISRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-4-25(23,24)21-11-9-18(10-12-21)14-20(17(22)19(2)3)13-15-7-5-6-8-16(15)18/h5-8H,4,9-14H2,1-3H3.
What are the key properties of 1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide?
1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylsulfonyl-N,N-dimethylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 97400747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).