(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide

C17H26N2O3S — CID 95155180

IUPAC(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide
SMILESCC(C)CCNC(=O)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C17H26N2O3S/c1-14(2)8-9-18-17(20)16(15-6-4-3-5-7-15)19-10-12-23(21,22)13-11-19/h3-7,14,16H,8-13H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyASMNZCUPQYTVDP-INIZCTEOSA-N
MW338.47 g/mol
LogP1.62
Rot. Bonds6

About (2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide

(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide (PubChem CID 95155180) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide
PubChem CID95155180
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide
SMILESCC(C)CCNC(=O)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C17H26N2O3S/c1-14(2)8-9-18-17(20)16(15-6-4-3-5-7-15)19-10-12-23(21,22)13-11-19/h3-7,14,16H,8-13H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyASMNZCUPQYTVDP-INIZCTEOSA-N
XLogP1.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 94825159
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
CID 56515058
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-(2-phenylbutyl)acetamide
CID 56516854
N-[3-[benzyl(methyl)amino]propyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56516594
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56505983
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 56538727
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-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56513548
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylacetamide
CID 56505304
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 56513839
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56505820
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylacetamide
CID 56540457

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide (CID 95155180) is (2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide is CC(C)CCNC(=O)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide?
The InChIKey is ASMNZCUPQYTVDP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14(2)8-9-18-17(20)16(15-6-4-3-5-7-15)19-10-12-23(21,22)13-11-19/h3-7,14,16H,8-13H2,1-2H3,(H,18,20)/t16-/m0/s1.
What are the key properties of (2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide?
(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide has a molecular weight of 338.47 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide is sourced from PubChem (CID 95155180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).