[2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone

C19H25N3O4S — CID 134076850

IUPAC[2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC2(C1)c1ccccc1S(=O)(=O)N2CC1CC1
InChIInChI=1S/C19H25N3O4S/c23-18(20-9-11-26-12-10-20)21-8-7-19(14-21)16-3-1-2-4-17(16)27(24,25)22(19)13-15-5-6-15/h1-4,15H,5-14H2
InChIKeyDOFUASRJUUKWIS-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.45
Rot. Bonds2

About [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone

[2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone (PubChem CID 134076850) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone
PubChem CID134076850
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name[2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC2(C1)c1ccccc1S(=O)(=O)N2CC1CC1
InChIInChI=1S/C19H25N3O4S/c23-18(20-9-11-26-12-10-20)21-8-7-19(14-21)16-3-1-2-4-17(16)27(24,25)22(19)13-15-5-6-15/h1-4,15H,5-14H2
InChIKeyDOFUASRJUUKWIS-UHFFFAOYSA-N
XLogP1.45
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone (CID 134076850) is [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCC2(C1)c1ccccc1S(=O)(=O)N2CC1CC1.
What is the InChIKey of [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone?
The InChIKey is DOFUASRJUUKWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c23-18(20-9-11-26-12-10-20)21-8-7-19(14-21)16-3-1-2-4-17(16)27(24,25)22(19)13-15-5-6-15/h1-4,15H,5-14H2.
What are the key properties of [2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone?
[2-(cyclopropylmethyl)-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone has a molecular weight of 391.49 g/mol, XLogP of 1.45, 2 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 134076850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).