2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride

C17H24ClN3O2S — CID 119530696

IUPAC2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1ccc2c(c1)NC(=O)C(C)S2)C1CCNC1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-3-8-20(13-6-7-18-10-13)17(22)12-4-5-15-14(9-12)19-16(21)11(2)23-15;/h4-5,9,11,13,18H,3,6-8,10H2,1-2H3,(H,19,21);1H
InChIKeyNCTGBWSVQOVBAP-UHFFFAOYSA-N
MW369.92 g/mol
LogP2.76
Rot. Bonds4

About 2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride

2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride (PubChem CID 119530696) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
PubChem CID119530696
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1ccc2c(c1)NC(=O)C(C)S2)C1CCNC1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-3-8-20(13-6-7-18-10-13)17(22)12-4-5-15-14(9-12)19-16(21)11(2)23-15;/h4-5,9,11,13,18H,3,6-8,10H2,1-2H3,(H,19,21);1H
InChIKeyNCTGBWSVQOVBAP-UHFFFAOYSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 24632500
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530301
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119823531
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide
CID 119531080
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532395
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
The IUPAC name of 2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride (CID 119530696) is 2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
The canonical SMILES for 2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride is CCCN(C(=O)c1ccc2c(c1)NC(=O)C(C)S2)C1CCNC1.Cl.
What is the InChIKey of 2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
The InChIKey is NCTGBWSVQOVBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.ClH/c1-3-8-20(13-6-7-18-10-13)17(22)12-4-5-15-14(9-12)19-16(21)11(2)23-15;/h4-5,9,11,13,18H,3,6-8,10H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride is sourced from PubChem (CID 119530696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).