(3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide

C10H21NO2S — CID 157467031

IUPAC(3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)[C@@H]1CS(=O)(=O)C[C@@H](C(C)C)N1
InChIInChI=1S/C10H21NO2S/c1-7(2)9-5-14(12,13)6-10(11-9)8(3)4/h7-11H,5-6H2,1-4H3/t9-,10-/m0/s1
InChIKeyFVDCLRHUMYTIBH-UWVGGRQHSA-N
MW219.35 g/mol
LogP1.05
Rot. Bonds2

About (3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide

(3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 157467031) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is (3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID157467031
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name(3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)[C@@H]1CS(=O)(=O)C[C@@H](C(C)C)N1
InChIInChI=1S/C10H21NO2S/c1-7(2)9-5-14(12,13)6-10(11-9)8(3)4/h7-11H,5-6H2,1-4H3/t9-,10-/m0/s1
InChIKeyFVDCLRHUMYTIBH-UWVGGRQHSA-N
XLogP1.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide (CID 157467031) is (3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide is CC(C)[C@@H]1CS(=O)(=O)C[C@@H](C(C)C)N1.
What is the InChIKey of (3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is FVDCLRHUMYTIBH-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-7(2)9-5-14(12,13)6-10(11-9)8(3)4/h7-11H,5-6H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of (3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide?
(3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 219.35 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,5-di(propan-2-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 157467031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).