4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide

C15H23N3O2S — CID 128703069

IUPAC4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide
SMILESCCC1CN(Cc2cnc(C3CC3)nc2)CC(C)S1(=O)=O
InChIInChI=1S/C15H23N3O2S/c1-3-14-10-18(8-11(2)21(14,19)20)9-12-6-16-15(17-7-12)13-4-5-13/h6-7,11,13-14H,3-5,8-10H2,1-2H3
InChIKeyONUOASKBWVNDGQ-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.75
Rot. Bonds4

About 4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide

4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 128703069) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID128703069
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide
SMILESCCC1CN(Cc2cnc(C3CC3)nc2)CC(C)S1(=O)=O
InChIInChI=1S/C15H23N3O2S/c1-3-14-10-18(8-11(2)21(14,19)20)9-12-6-16-15(17-7-12)13-4-5-13/h6-7,11,13-14H,3-5,8-10H2,1-2H3
InChIKeyONUOASKBWVNDGQ-UHFFFAOYSA-N
XLogP1.75
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

(2S,3R)-3-(5-Methylpyrimidin-2-yl)butane-2-sulfonamide
CID 122702009
4-(5-Ethyl-2-methylpyrimidin-4-yl)thiomorpholine 1,1-dioxide
CID 50967110
N-({1-[(2-Methylpyrimidin-5-YL)methyl]pyrrolidin-3-YL}methyl)cyclopropanesulfonamide
CID 56758748
N~2~-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-N~4~,N~4~,5-trimethylpyrimidine-2,4-diamine
CID 50955867
N,N-dimethyl-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 75507839
5-[(1,1-dioxidothiomorpholin-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
CID 77080738
N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99950077
7-Methyl-4-[(5-methylpyrimidin-2-yl)methyl]-1,4-thiazepane 1-oxide
CID 132383804
5-[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,N-dimethylpyrimidin-2-amine
CID 136519674
(3S)-3-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 164638455
5-fluoro-2-[(2R)-2-methylsulfonylpropyl]pyrimidine
CID 124085015
5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine
CID 126560646

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide (CID 128703069) is 4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide is CCC1CN(Cc2cnc(C3CC3)nc2)CC(C)S1(=O)=O.
What is the InChIKey of 4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is ONUOASKBWVNDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-14-10-18(8-11(2)21(14,19)20)9-12-6-16-15(17-7-12)13-4-5-13/h6-7,11,13-14H,3-5,8-10H2,1-2H3.
What are the key properties of 4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide?
4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 309.44 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropylpyrimidin-5-yl)methyl]-2-ethyl-6-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 128703069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).