3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide

C15H23N3O3S — CID 119953269

IUPAC3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCCN1CCS(=O)(=O)CC1)c1ccccc1
InChIInChI=1S/C15H23N3O3S/c16-14(13-4-2-1-3-5-13)12-15(19)17-6-7-18-8-10-22(20,21)11-9-18/h1-5,14H,6-12,16H2,(H,17,19)
InChIKeyAHGSATUNHUVQJK-UHFFFAOYSA-N
MW325.43 g/mol
LogP-0.08
Rot. Bonds6

About 3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide

3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide (PubChem CID 119953269) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide
PubChem CID119953269
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCCN1CCS(=O)(=O)CC1)c1ccccc1
InChIInChI=1S/C15H23N3O3S/c16-14(13-4-2-1-3-5-13)12-15(19)17-6-7-18-8-10-22(20,21)11-9-18/h1-5,14H,6-12,16H2,(H,17,19)
InChIKeyAHGSATUNHUVQJK-UHFFFAOYSA-N
XLogP-0.08
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
CID 119952838
3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide
CID 119953878
3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119952808
4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119953883
2-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 120669819
3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide
CID 119953398
2-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669818
3-amino-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119953459
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride
CID 119952744
N-(2-amino-2-phenylethyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;dihydrochloride
CID 119529003

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide (CID 119953269) is 3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide is NC(CC(=O)NCCN1CCS(=O)(=O)CC1)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide?
The InChIKey is AHGSATUNHUVQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c16-14(13-4-2-1-3-5-13)12-15(19)17-6-7-18-8-10-22(20,21)11-9-18/h1-5,14H,6-12,16H2,(H,17,19).
What are the key properties of 3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide?
3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide has a molecular weight of 325.43 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119953269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).