(3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide

C6H13NO4S2 — CID 167985024

IUPAC(3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide
SMILESC[C@H]1CS(=O)(=O)CCN1S(C)(=O)=O
InChIInChI=1S/C6H13NO4S2/c1-6-5-13(10,11)4-3-7(6)12(2,8)9/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyNBOMOGFPYVNTEA-LURJTMIESA-N
MW227.31 g/mol
LogP-0.94
Rot. Bonds1

About (3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide

(3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide (PubChem CID 167985024) has the molecular formula C6H13NO4S2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide
PubChem CID167985024
Molecular FormulaC6H13NO4S2
Molecular Weight227.31 g/mol
Exact Mass227.03
IUPAC Name(3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide
SMILESC[C@H]1CS(=O)(=O)CCN1S(C)(=O)=O
InChIInChI=1S/C6H13NO4S2/c1-6-5-13(10,11)4-3-7(6)12(2,8)9/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyNBOMOGFPYVNTEA-LURJTMIESA-N
XLogP-0.94
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102887417
2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine
CID 102883104
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol
CID 102887405
3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 102884485
3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide
CID 102884508
N-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide
CID 102887444
N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide
CID 102887387
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonylmethyl]aniline
CID 102882331
N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine
CID 102887483
1-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]ethanamine
CID 102884344
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]benzenecarbothioamide
CID 102883472
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 102882974

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide (CID 167985024) is (3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide is C[C@H]1CS(=O)(=O)CCN1S(C)(=O)=O.
What is the InChIKey of (3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is NBOMOGFPYVNTEA-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO4S2/c1-6-5-13(10,11)4-3-7(6)12(2,8)9/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide?
(3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 227.31 g/mol, XLogP of -0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 167985024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).