(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one

C11H22N2O3S — CID 103831799

IUPAC(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C11H22N2O3S/c1-3-4-5-10(12)11(14)13-6-7-17(15,16)8-9(13)2/h9-10H,3-8,12H2,1-2H3/t9?,10-/m0/s1
InChIKeyDLXSMHMATNIDAS-AXDSSHIGSA-N
MW262.37 g/mol
LogP0.15
Rot. Bonds4

About (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one

(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one (PubChem CID 103831799) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one
PubChem CID103831799
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C11H22N2O3S/c1-3-4-5-10(12)11(14)13-6-7-17(15,16)8-9(13)2/h9-10H,3-8,12H2,1-2H3/t9?,10-/m0/s1
InChIKeyDLXSMHMATNIDAS-AXDSSHIGSA-N
XLogP0.15
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-oxobutanoic acid
CID 102883221
(2S)-2-amino-3-(4-hydroxyphenyl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102883213
(2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
CID 113266999
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
CID 102884394
(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 102883338
(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)pentan-1-one
CID 103814592
(2S)-2-amino-1-(2,3-dimethylpiperidin-1-yl)hexan-1-one
CID 103831675
4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
CID 103797329
N-butyl-3-methyl-1,1-dioxo-1,4-thiazinane-4-carbothioamide
CID 102883055
2-[4-(2-amino-4-methoxybutanoyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80518736
2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 60852760
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one?
The IUPAC name of (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one (CID 103831799) is (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one is CCCC[C@H](N)C(=O)N1CCS(=O)(=O)CC1C.
What is the InChIKey of (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one?
The InChIKey is DLXSMHMATNIDAS-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-4-5-10(12)11(14)13-6-7-17(15,16)8-9(13)2/h9-10H,3-8,12H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one?
(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one has a molecular weight of 262.37 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one is sourced from PubChem (CID 103831799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).