N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C17H25N3O2S — CID 46087517

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCN(C)CC(C)(C)CNC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C17H25N3O2S/c1-17(2,11-20(3)4)10-18-15(21)9-14-16(22)19-12-7-5-6-8-13(12)23-14/h5-8,14H,9-11H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyDBOPSEWAOLNMBT-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.19
Rot. Bonds6

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 46087517) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID46087517
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCN(C)CC(C)(C)CNC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C17H25N3O2S/c1-17(2,11-20(3)4)10-18-15(21)9-14-16(22)19-12-7-5-6-8-13(12)23-14/h5-8,14H,9-11H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyDBOPSEWAOLNMBT-UHFFFAOYSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-[(dimethylamino)methyl]phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9451688
N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
CID 94798573
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9304215
N-[2-(2-methylphenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41013278
N-[3-(N-methylanilino)propyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27753834
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
N-[(4-fluorophenyl)methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41074229
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2852355
methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 718690

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 46087517) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is CN(C)CC(C)(C)CNC(=O)CC1Sc2ccccc2NC1=O.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is DBOPSEWAOLNMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-17(2,11-20(3)4)10-18-15(21)9-14-16(22)19-12-7-5-6-8-13(12)23-14/h5-8,14H,9-11H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 335.47 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 46087517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).