(2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide

C6H13NO2S — CID 169127633

IUPAC(2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESC[C@H]1CN(C)CCS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6-5-7(2)3-4-10(6,8)9/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyBRLGRFWNLDGSGP-LURJTMIESA-N
MW163.24 g/mol
LogP-0.26
Rot. Bonds

About (2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide

(2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 169127633) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide
PubChem CID169127633
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESC[C@H]1CN(C)CCS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6-5-7(2)3-4-10(6,8)9/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyBRLGRFWNLDGSGP-LURJTMIESA-N
XLogP-0.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiomorpholine, 4-methyl-, 1,1-dioxide
CID 91413
4-(Prop-2-yn-1-yl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2777265
4,4-Dimethyl-1,4-thiazinan-4-ium1,1-dioxide,bromide
CID 3056932
4-Cyclopropyl-1lambda6-thiomorpholine-1,1-dione
CID 318475
4-Propan-2-yl-1,4-thiazinane 1,1-dioxide
CID 2806243
4-Butylthiomorpholine-1,1-dioxide
CID 10987084
4,4-Dimethyl-1,4-thiazinan-4-ium 1,1-dioxide
CID 423310
2-Methylthiomorpholine 1,1-dioxide
CID 14953860
2,6-Dimethylthiomorpholine 1,1-dioxide
CID 61795481
4-Methyl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
CID 146666999
4-Hexyl-1,4-thiazinane 1,1-dioxide
CID 318464
Piperidine, 1-[2-(ethylsulfonyl)ethyl]-
CID 3104333

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide (CID 169127633) is (2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide is C[C@H]1CN(C)CCS1(=O)=O.
What is the InChIKey of (2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is BRLGRFWNLDGSGP-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6-5-7(2)3-4-10(6,8)9/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide?
(2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 163.24 g/mol, XLogP of -0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 169127633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).