(5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone

C16H25N3O2S — CID 119033587

IUPAC(5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(C3CCCCC3)[nH]n2)CCS1=O
InChIInChI=1S/C16H25N3O2S/c1-16(2)11-19(8-9-22(16)21)15(20)14-10-13(17-18-14)12-6-4-3-5-7-12/h10,12H,3-9,11H2,1-2H3,(H,17,18)
InChIKeyBQWVMAOVZGPFNK-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.44
Rot. Bonds2

About (5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone

(5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 119033587) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID119033587
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(C3CCCCC3)[nH]n2)CCS1=O
InChIInChI=1S/C16H25N3O2S/c1-16(2)11-19(8-9-22(16)21)15(20)14-10-13(17-18-14)12-6-4-3-5-7-12/h10,12H,3-9,11H2,1-2H3,(H,17,18)
InChIKeyBQWVMAOVZGPFNK-UHFFFAOYSA-N
XLogP2.44
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone (CID 119033587) is (5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone is CC1(C)CN(C(=O)c2cc(C3CCCCC3)[nH]n2)CCS1=O.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is BQWVMAOVZGPFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-16(2)11-19(8-9-22(16)21)15(20)14-10-13(17-18-14)12-6-4-3-5-7-12/h10,12H,3-9,11H2,1-2H3,(H,17,18).
What are the key properties of (5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone?
(5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 323.46 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-3-yl)-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 119033587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).