N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide

C15H19N3O3S — CID 94798573

IUPACN,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
SMILESCN(C)C(=O)CCNC(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C15H19N3O3S/c1-18(2)14(20)7-8-16-13(19)9-12-15(21)17-10-5-3-4-6-11(10)22-12/h3-6,12H,7-9H2,1-2H3,(H,16,19)(H,17,21)/t12-/m1/s1
InChIKeyKYIQJVCEEHXQOA-GFCCVEGCSA-N
MW321.40 g/mol
LogP1.08
Rot. Bonds5

About N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide

N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide (PubChem CID 94798573) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
PubChem CID94798573
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
SMILESCN(C)C(=O)CCNC(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C15H19N3O3S/c1-18(2)14(20)7-8-16-13(19)9-12-15(21)17-10-5-3-4-6-11(10)22-12/h3-6,12H,7-9H2,1-2H3,(H,16,19)(H,17,21)/t12-/m1/s1
InChIKeyKYIQJVCEEHXQOA-GFCCVEGCSA-N
XLogP1.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40591425
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-[2-(2-methylphenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41013278
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9451688
N-[3-(N-methylanilino)propyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27753834
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548
3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide
CID 47034434
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 46087517
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9304215
N-(3-butoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51165918
[2-(dimethylamino)-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7607305
N-[2-(4-methylphenyl)sulfanylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40791284

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide (CID 94798573) is N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide is CN(C)C(=O)CCNC(=O)C[C@H]1Sc2ccccc2NC1=O.
What is the InChIKey of N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide?
The InChIKey is KYIQJVCEEHXQOA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-18(2)14(20)7-8-16-13(19)9-12-15(21)17-10-5-3-4-6-11(10)22-12/h3-6,12H,7-9H2,1-2H3,(H,16,19)(H,17,21)/t12-/m1/s1.
What are the key properties of N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide?
N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide has a molecular weight of 321.40 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide is sourced from PubChem (CID 94798573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).