1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C23H24N4O3S2 — CID 45481811

IUPAC1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cscn4)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H24N4O3S2/c1-32(29,30)27-15-23(19-4-2-3-5-21(19)27)10-12-26(13-11-23)22(28)25-18-8-6-17(7-9-18)20-14-31-16-24-20/h2-9,14,16H,10-13,15H2,1H3,(H,25,28)
InChIKeyYJMQVJHHZCJXPU-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.16
Rot. Bonds3

About 1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 45481811) has the molecular formula C23H24N4O3S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID45481811
Molecular FormulaC23H24N4O3S2
Molecular Weight468.60 g/mol
Exact Mass468.13
IUPAC Name1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cscn4)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H24N4O3S2/c1-32(29,30)27-15-23(19-4-2-3-5-21(19)27)10-12-26(13-11-23)22(28)25-18-8-6-17(7-9-18)20-14-31-16-24-20/h2-9,14,16H,10-13,15H2,1H3,(H,25,28)
InChIKeyYJMQVJHHZCJXPU-UHFFFAOYSA-N
XLogP4.16
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 45481811) is 1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cscn4)cc3)CC2)c2ccccc21.
What is the InChIKey of 1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is YJMQVJHHZCJXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S2/c1-32(29,30)27-15-23(19-4-2-3-5-21(19)27)10-12-26(13-11-23)22(28)25-18-8-6-17(7-9-18)20-14-31-16-24-20/h2-9,14,16H,10-13,15H2,1H3,(H,25,28).
What are the key properties of 1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 45481811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).