1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone

C21H25ClN4O3S2 — CID 150543697

IUPAC1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(C1)CN(c1ncc(Cl)s1)c1ccc(S(=O)(=O)N3CCCCC3)cc12
InChIInChI=1S/C21H25ClN4O3S2/c1-15(27)24-10-7-21(13-24)14-26(20-23-12-19(22)30-20)18-6-5-16(11-17(18)21)31(28,29)25-8-3-2-4-9-25/h5-6,11-12H,2-4,7-10,13-14H2,1H3
InChIKeyIGKNOAYUTRHAHI-UHFFFAOYSA-N
MW481.04 g/mol
LogP3.61
Rot. Bonds3

About 1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone

1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone (PubChem CID 150543697) has the molecular formula C21H25ClN4O3S2 and a molecular weight of 481.04 g/mol. Its IUPAC name is 1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone.

Molecular Properties

Compound Name1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
PubChem CID150543697
Molecular FormulaC21H25ClN4O3S2
Molecular Weight481.04 g/mol
Exact Mass480.11
IUPAC Name1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(C1)CN(c1ncc(Cl)s1)c1ccc(S(=O)(=O)N3CCCCC3)cc12
InChIInChI=1S/C21H25ClN4O3S2/c1-15(27)24-10-7-21(13-24)14-26(20-23-12-19(22)30-20)18-6-5-16(11-17(18)21)31(28,29)25-8-3-2-4-9-25/h5-6,11-12H,2-4,7-10,13-14H2,1H3
InChIKeyIGKNOAYUTRHAHI-UHFFFAOYSA-N
XLogP3.61
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.04
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(5-fluoro-1,3-thiazol-2-yl)-5-(4-methylpiperazin-1-yl)sulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
CID 151220491
1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
CID 151171230
1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
CID 150190546
1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
CID 151355514
1-[1-(5-chloro-1,3-thiazol-2-yl)-5-(trifluoromethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
CID 152557451
1'-acetyl-N-(5-chloro-1,3-thiazol-2-yl)-5-(2-methoxyethylsulfamoyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
CID 90449579
1'-acetyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
CID 90449624
1-(1'-acetyl-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)-2-(5-chloro-1,3-thiazol-2-yl)ethanone
CID 149388037
1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
CID 159248360
1-[5-(4-methoxyphenoxy)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
CID 150952386
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
1-[4-(3-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3831126

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone?
The IUPAC name of 1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone (CID 150543697) is 1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone.
What is the SMILES notation for 1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone?
The canonical SMILES for 1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone is CC(=O)N1CCC2(C1)CN(c1ncc(Cl)s1)c1ccc(S(=O)(=O)N3CCCCC3)cc12.
What is the InChIKey of 1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone?
The InChIKey is IGKNOAYUTRHAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3S2/c1-15(27)24-10-7-21(13-24)14-26(20-23-12-19(22)30-20)18-6-5-16(11-17(18)21)31(28,29)25-8-3-2-4-9-25/h5-6,11-12H,2-4,7-10,13-14H2,1H3.
What are the key properties of 1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone?
1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone has a molecular weight of 481.04 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone is sourced from PubChem (CID 150543697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).