N-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine

C19H22N4O2S — CID 71486816

IUPACN-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine
SMILESC=CCN1c2ccccc2-c2nc(NC3CCCCC3)ncc2S1(=O)=O
InChIInChI=1S/C19H22N4O2S/c1-2-12-23-16-11-7-6-10-15(16)18-17(26(23,24)25)13-20-19(22-18)21-14-8-4-3-5-9-14/h2,6-7,10-11,13-14H,1,3-5,8-9,12H2,(H,20,21,22)
InChIKeyXPVHUFAOOIKVNJ-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.58
Rot. Bonds4

About N-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine

N-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine (PubChem CID 71486816) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine
PubChem CID71486816
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine
SMILESC=CCN1c2ccccc2-c2nc(NC3CCCCC3)ncc2S1(=O)=O
InChIInChI=1S/C19H22N4O2S/c1-2-12-23-16-11-7-6-10-15(16)18-17(26(23,24)25)13-20-19(22-18)21-14-8-4-3-5-9-14/h2,6-7,10-11,13-14H,1,3-5,8-9,12H2,(H,20,21,22)
InChIKeyXPVHUFAOOIKVNJ-UHFFFAOYSA-N
XLogP3.58
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine?
The IUPAC name of N-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine (CID 71486816) is N-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine.
What is the SMILES notation for N-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine?
The canonical SMILES for N-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine is C=CCN1c2ccccc2-c2nc(NC3CCCCC3)ncc2S1(=O)=O.
What is the InChIKey of N-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine?
The InChIKey is XPVHUFAOOIKVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-2-12-23-16-11-7-6-10-15(16)18-17(26(23,24)25)13-20-19(22-18)21-14-8-4-3-5-9-14/h2,6-7,10-11,13-14H,1,3-5,8-9,12H2,(H,20,21,22).
What are the key properties of N-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine?
N-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine has a molecular weight of 370.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5,5-dioxo-6-prop-2-enylpyrimido[5,4-c][2,1]benzothiazin-2-amine is sourced from PubChem (CID 71486816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).