N-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide

C17H20N2O3S — CID 1235456

IUPACN-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide
SMILESO=C(NC1CCCCC1)C1=C2c3ccccc3S(=O)(=O)N2CC1
InChIInChI=1S/C17H20N2O3S/c20-17(18-12-6-2-1-3-7-12)14-10-11-19-16(14)13-8-4-5-9-15(13)23(19,21)22/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,20)
InChIKeyLTOYVUPIZZYDIQ-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.25
Rot. Bonds2

About N-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide

N-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide (PubChem CID 1235456) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is N-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide
PubChem CID1235456
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC NameN-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide
SMILESO=C(NC1CCCCC1)C1=C2c3ccccc3S(=O)(=O)N2CC1
InChIInChI=1S/C17H20N2O3S/c20-17(18-12-6-2-1-3-7-12)14-10-11-19-16(14)13-8-4-5-9-15(13)23(19,21)22/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,20)
InChIKeyLTOYVUPIZZYDIQ-UHFFFAOYSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide (CID 1235456) is N-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide is O=C(NC1CCCCC1)C1=C2c3ccccc3S(=O)(=O)N2CC1.
What is the InChIKey of N-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide?
The InChIKey is LTOYVUPIZZYDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-17(18-12-6-2-1-3-7-12)14-10-11-19-16(14)13-8-4-5-9-15(13)23(19,21)22/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,20).
What are the key properties of N-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide?
N-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5,5-dioxo-2,3-dihydropyrrolo[1,2-b][1,2]benzothiazole-1-carboxamide is sourced from PubChem (CID 1235456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).