(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone

C12H17NO2S2 — CID 71856535

IUPAC(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCS(=O)C(C)(C)C1
InChIInChI=1S/C12H17NO2S2/c1-9-4-6-16-10(9)11(14)13-5-7-17(15)12(2,3)8-13/h4,6H,5,7-8H2,1-3H3
InChIKeyCQOPIAVKKHHNLV-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.04
Rot. Bonds1

About (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone

(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone (PubChem CID 71856535) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone
PubChem CID71856535
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC Name(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCS(=O)C(C)(C)C1
InChIInChI=1S/C12H17NO2S2/c1-9-4-6-16-10(9)11(14)13-5-7-17(15)12(2,3)8-13/h4,6H,5,7-8H2,1-3H3
InChIKeyCQOPIAVKKHHNLV-UHFFFAOYSA-N
XLogP2.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594
3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146685
1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982644
(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
7-(3-methylthiophene-2-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996200
(2,4-difluorophenyl)-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone
CID 97053355
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470352

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone (CID 71856535) is (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCS(=O)C(C)(C)C1.
What is the InChIKey of (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is CQOPIAVKKHHNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-9-4-6-16-10(9)11(14)13-5-7-17(15)12(2,3)8-13/h4,6H,5,7-8H2,1-3H3.
What are the key properties of (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone?
(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 271.41 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 71856535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).