(2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide

C16H24N2O3S — CID 94825159

IUPAC(2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
SMILESCCCCNC(=O)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-3-9-17-16(19)15(14-7-5-4-6-8-14)18-10-12-22(20,21)13-11-18/h4-8,15H,2-3,9-13H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyRHDAEWNZDUBWMH-OAHLLOKOSA-N
MW324.45 g/mol
LogP1.37
Rot. Bonds6

About (2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide

(2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide (PubChem CID 94825159) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
PubChem CID94825159
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
SMILESCCCCNC(=O)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-3-9-17-16(19)15(14-7-5-4-6-8-14)18-10-12-22(20,21)13-11-18/h4-8,15H,2-3,9-13H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyRHDAEWNZDUBWMH-OAHLLOKOSA-N
XLogP1.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide
CID 95155180
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
CID 56515058
N-[3-[benzyl(methyl)amino]propyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56516594
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-(2-phenylbutyl)acetamide
CID 56516854
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide
CID 56573027
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 56515475
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56505983
N-[3-[[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]methyl]phenyl]butanamide
CID 56505958
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 56538727
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56513801
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56513548

Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The IUPAC name of (2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide (CID 94825159) is (2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide is CCCCNC(=O)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The InChIKey is RHDAEWNZDUBWMH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-3-9-17-16(19)15(14-7-5-4-6-8-14)18-10-12-22(20,21)13-11-18/h4-8,15H,2-3,9-13H2,1H3,(H,17,19)/t15-/m1/s1.
What are the key properties of (2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
(2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide has a molecular weight of 324.45 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide is sourced from PubChem (CID 94825159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).