2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride

C13H19ClN4O3S — CID 119428877

IUPAC2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C13H18N4O3S.ClH/c18-13(15-11-2-1-5-14-8-11)10-3-4-12-16-21(19,20)7-6-17(12)9-10;/h3-4,9,11,14H,1-2,5-8H2,(H,15,18);1H
InChIKeyGRUVWOVESMTBML-UHFFFAOYSA-N
MW346.84 g/mol
LogP-0.23
Rot. Bonds2

About 2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride

2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride (PubChem CID 119428877) has the molecular formula C13H19ClN4O3S and a molecular weight of 346.84 g/mol. Its IUPAC name is 2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
PubChem CID119428877
Molecular FormulaC13H19ClN4O3S
Molecular Weight346.84 g/mol
Exact Mass346.09
IUPAC Name2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C13H18N4O3S.ClH/c18-13(15-11-2-1-5-14-8-11)10-3-4-12-16-21(19,20)7-6-17(12)9-10;/h3-4,9,11,14H,1-2,5-8H2,(H,15,18);1H
InChIKeyGRUVWOVESMTBML-UHFFFAOYSA-N
XLogP-0.23
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride?
The IUPAC name of 2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride (CID 119428877) is 2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride.
What is the SMILES notation for 2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride?
The canonical SMILES for 2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride is Cl.O=C(NC1CCCNC1)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of 2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride?
The InChIKey is GRUVWOVESMTBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S.ClH/c18-13(15-11-2-1-5-14-8-11)10-3-4-12-16-21(19,20)7-6-17(12)9-10;/h3-4,9,11,14H,1-2,5-8H2,(H,15,18);1H.
What are the key properties of 2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride?
2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride has a molecular weight of 346.84 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride is sourced from PubChem (CID 119428877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).