2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide

C14H21N3O2S — CID 116693803

IUPAC2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide
SMILESNC(=O)C(N)(CCN1CCS(=O)CC1)c1ccccc1
InChIInChI=1S/C14H21N3O2S/c15-13(18)14(16,12-4-2-1-3-5-12)6-7-17-8-10-20(19)11-9-17/h1-5H,6-11,16H2,(H2,15,18)
InChIKeyYWLXICZGOIOEPL-UHFFFAOYSA-N
MW295.41 g/mol
LogP-0.22
Rot. Bonds5

About 2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide

2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide (PubChem CID 116693803) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide.

Molecular Properties

Compound Name2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide
PubChem CID116693803
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide
SMILESNC(=O)C(N)(CCN1CCS(=O)CC1)c1ccccc1
InChIInChI=1S/C14H21N3O2S/c15-13(18)14(16,12-4-2-1-3-5-12)6-7-17-8-10-20(19)11-9-17/h1-5H,6-11,16H2,(H2,15,18)
InChIKeyYWLXICZGOIOEPL-UHFFFAOYSA-N
XLogP-0.22
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide?
The IUPAC name of 2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide (CID 116693803) is 2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide.
What is the SMILES notation for 2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide?
The canonical SMILES for 2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide is NC(=O)C(N)(CCN1CCS(=O)CC1)c1ccccc1.
What is the InChIKey of 2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide?
The InChIKey is YWLXICZGOIOEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c15-13(18)14(16,12-4-2-1-3-5-12)6-7-17-8-10-20(19)11-9-17/h1-5H,6-11,16H2,(H2,15,18).
What are the key properties of 2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide?
2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide has a molecular weight of 295.41 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide is sourced from PubChem (CID 116693803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).