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

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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).