4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide

C12H21N3O2S — CID 77088463

IUPAC4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCCCn1cc(CN2CCS(=O)(=O)CC2)c(C)n1
InChIInChI=1S/C12H21N3O2S/c1-3-4-15-10-12(11(2)13-15)9-14-5-7-18(16,17)8-6-14/h10H,3-9H2,1-2H3
InChIKeyHVUUSRMYEFKZPP-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.83
Rot. Bonds4

About 4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 77088463) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID77088463
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCCCn1cc(CN2CCS(=O)(=O)CC2)c(C)n1
InChIInChI=1S/C12H21N3O2S/c1-3-4-15-10-12(11(2)13-15)9-14-5-7-18(16,17)8-6-14/h10H,3-9H2,1-2H3
InChIKeyHVUUSRMYEFKZPP-UHFFFAOYSA-N
XLogP0.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide (CID 77088463) is 4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide is CCCn1cc(CN2CCS(=O)(=O)CC2)c(C)n1.
What is the InChIKey of 4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is HVUUSRMYEFKZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-4-15-10-12(11(2)13-15)9-14-5-7-18(16,17)8-6-14/h10H,3-9H2,1-2H3.
What are the key properties of 4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 271.39 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 77088463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).