4-methyl-2,3-dihydro-1,4-thiazine 1-oxide

C5H9NOS — CID 145467203

IUPAC4-methyl-2,3-dihydro-1,4-thiazine 1-oxide
SMILESCN1C=CS(=O)CC1
InChIInChI=1S/C5H9NOS/c1-6-2-4-8(7)5-3-6/h2,4H,3,5H2,1H3
InChIKeyFWRMXVJMAULDOK-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.15
Rot. Bonds

About 4-methyl-2,3-dihydro-1,4-thiazine 1-oxide

4-methyl-2,3-dihydro-1,4-thiazine 1-oxide (PubChem CID 145467203) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1,4-thiazine 1-oxide.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1,4-thiazine 1-oxide
PubChem CID145467203
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name4-methyl-2,3-dihydro-1,4-thiazine 1-oxide
SMILESCN1C=CS(=O)CC1
InChIInChI=1S/C5H9NOS/c1-6-2-4-8(7)5-3-6/h2,4H,3,5H2,1H3
InChIKeyFWRMXVJMAULDOK-UHFFFAOYSA-N
XLogP0.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Xemljnlycnpyiu-aatrikpksa-
CID 23264363
4-Methyl-2,3-dihydro-1,4-thiazine
CID 20497619
4-Methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
CID 20813961
4-Ethyl-1,4-thiazine
CID 68027210
2-(Ethylsulfanyl)-N,N-dimethylethen-1-amine
CID 71393439
4,4-Dimethyl-1,4-thiazin-4-ium
CID 123718998
4-Methyl-2,3-dihydro-1,4-thiazine;dihydrate
CID 145468022
Methane;4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
CID 159364196
4-Ethenyl-1,4-thiazinane 1-oxide
CID 171832065
Ethenamine, N,N-dimethyl-2-(methylsulfinyl)-, (E)-(9CI)
CID 13555973
N,N-dimethyl-2-methylsulfinylethenamine
CID 71434700
3-Methyl-1,2-didehydro-1,3-thiazole 1-oxide
CID 101726529

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-1,4-thiazine 1-oxide?
The IUPAC name of 4-methyl-2,3-dihydro-1,4-thiazine 1-oxide (CID 145467203) is 4-methyl-2,3-dihydro-1,4-thiazine 1-oxide.
What is the SMILES notation for 4-methyl-2,3-dihydro-1,4-thiazine 1-oxide?
The canonical SMILES for 4-methyl-2,3-dihydro-1,4-thiazine 1-oxide is CN1C=CS(=O)CC1.
What is the InChIKey of 4-methyl-2,3-dihydro-1,4-thiazine 1-oxide?
The InChIKey is FWRMXVJMAULDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-6-2-4-8(7)5-3-6/h2,4H,3,5H2,1H3.
What are the key properties of 4-methyl-2,3-dihydro-1,4-thiazine 1-oxide?
4-methyl-2,3-dihydro-1,4-thiazine 1-oxide has a molecular weight of 131.20 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1,4-thiazine 1-oxide is sourced from PubChem (CID 145467203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).