N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C16H20N4O3S — CID 24674034

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)c2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C16H20N4O3S/c17-14(21)8-20-5-3-11(4-6-20)18-16(23)10-1-2-13-12(7-10)19-15(22)9-24-13/h1-2,7,11H,3-6,8-9H2,(H2,17,21)(H,18,23)(H,19,22)
InChIKeyRULUDBIBCIDOQB-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.41
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 24674034) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID24674034
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)c2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C16H20N4O3S/c17-14(21)8-20-5-3-11(4-6-20)18-16(23)10-1-2-13-12(7-10)19-15(22)9-24-13/h1-2,7,11H,3-6,8-9H2,(H2,17,21)(H,18,23)(H,19,22)
InChIKeyRULUDBIBCIDOQB-UHFFFAOYSA-N
XLogP0.41
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 24674034) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is NC(=O)CN1CCC(NC(=O)c2ccc3c(c2)NC(=O)CS3)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is RULUDBIBCIDOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c17-14(21)8-20-5-3-11(4-6-20)18-16(23)10-1-2-13-12(7-10)19-15(22)9-24-13/h1-2,7,11H,3-6,8-9H2,(H2,17,21)(H,18,23)(H,19,22).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 24674034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).