[2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone

C20H21N3O3S — CID 131649120

IUPAC[2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC2(C1)c1ccccc1S(=O)(=O)N2CC1CC1
InChIInChI=1S/C20H21N3O3S/c24-19(16-4-3-10-21-12-16)22-11-9-20(14-22)17-5-1-2-6-18(17)27(25,26)23(20)13-15-7-8-15/h1-6,10,12,15H,7-9,11,13-14H2
InChIKeyGOVOUZJUBVDGMV-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.24
Rot. Bonds3

About [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone

[2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone (PubChem CID 131649120) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone
PubChem CID131649120
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name[2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC2(C1)c1ccccc1S(=O)(=O)N2CC1CC1
InChIInChI=1S/C20H21N3O3S/c24-19(16-4-3-10-21-12-16)22-11-9-20(14-22)17-5-1-2-6-18(17)27(25,26)23(20)13-15-7-8-15/h1-6,10,12,15H,7-9,11,13-14H2
InChIKeyGOVOUZJUBVDGMV-UHFFFAOYSA-N
XLogP2.24
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-4-ylmethanone
CID 134070007
[1-(oxolan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-pyridin-3-ylmethanone
CID 134078028
1-[(3R)-1,1-dioxo-2-(pyridin-3-ylmethyl)spiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-2-(2-methylphenoxy)ethanone
CID 97438719
[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 134072870
7-(cyclohexylmethyl)-2-(pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45220503
1'-(pyridine-3-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375619
(6R)-10-(cyclopropylmethyl)-1-methyl-4-(pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97121140
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131639584

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone (CID 131649120) is [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC2(C1)c1ccccc1S(=O)(=O)N2CC1CC1.
What is the InChIKey of [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone?
The InChIKey is GOVOUZJUBVDGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-19(16-4-3-10-21-12-16)22-11-9-20(14-22)17-5-1-2-6-18(17)27(25,26)23(20)13-15-7-8-15/h1-6,10,12,15H,7-9,11,13-14H2.
What are the key properties of [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone?
[2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone has a molecular weight of 383.47 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 131649120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).