N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide

C15H23N3O3S — CID 119863681

IUPACN-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C15H23N3O3S/c1-12(11-16-2)15(19)17-13-4-3-5-14(10-13)18-6-8-22(20,21)9-7-18/h3-5,10,12,16H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyQNHWWZWNCJABDE-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.72
Rot. Bonds5

About N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide

N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119863681) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119863681
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C15H23N3O3S/c1-12(11-16-2)15(19)17-13-4-3-5-14(10-13)18-6-8-22(20,21)9-7-18/h3-5,10,12,16H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyQNHWWZWNCJABDE-UHFFFAOYSA-N
XLogP0.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-methylbutanamide
CID 119863677
2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide
CID 119863655
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
CID 119872864
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(5-methylhexan-2-yl)aniline
CID 86795940
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 104684218
3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide
CID 119953398
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 79201789
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide (CID 119863681) is N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1.
What is the InChIKey of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is QNHWWZWNCJABDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12(11-16-2)15(19)17-13-4-3-5-14(10-13)18-6-8-22(20,21)9-7-18/h3-5,10,12,16H,6-9,11H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide?
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 325.43 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119863681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).