2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide

C12H18N2O2S — CID 139410297

IUPAC2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide
SMILESCC(C)c1ccc(N2CCCCS2(=O)=O)cn1
InChIInChI=1S/C12H18N2O2S/c1-10(2)12-6-5-11(9-13-12)14-7-3-4-8-17(14,15)16/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyMMIMDXKPYOGNDG-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.13
Rot. Bonds2

About 2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide

2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide (PubChem CID 139410297) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide
PubChem CID139410297
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide
SMILESCC(C)c1ccc(N2CCCCS2(=O)=O)cn1
InChIInChI=1S/C12H18N2O2S/c1-10(2)12-6-5-11(9-13-12)14-7-3-4-8-17(14,15)16/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyMMIMDXKPYOGNDG-UHFFFAOYSA-N
XLogP2.13
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide?
The IUPAC name of 2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide (CID 139410297) is 2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide.
What is the SMILES notation for 2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide?
The canonical SMILES for 2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide is CC(C)c1ccc(N2CCCCS2(=O)=O)cn1.
What is the InChIKey of 2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide?
The InChIKey is MMIMDXKPYOGNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10(2)12-6-5-11(9-13-12)14-7-3-4-8-17(14,15)16/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide?
2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide has a molecular weight of 254.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propan-2-yl-3-pyridinyl)thiazinane 1,1-dioxide is sourced from PubChem (CID 139410297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).