(3R)-3-butylthiazinane 1,1-dioxide

C8H17NO2S — CID 11586429

IUPAC(3R)-3-butylthiazinane 1,1-dioxide
SMILESCCCC[C@@H]1CCCS(=O)(=O)N1
InChIInChI=1S/C8H17NO2S/c1-2-3-5-8-6-4-7-12(10,11)9-8/h8-9H,2-7H2,1H3/t8-/m1/s1
InChIKeyVLIPXIATUMSWBM-MRVPVSSYSA-N
MW191.30 g/mol
LogP1.26
Rot. Bonds3

About (3R)-3-butylthiazinane 1,1-dioxide

(3R)-3-butylthiazinane 1,1-dioxide (PubChem CID 11586429) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (3R)-3-butylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-butylthiazinane 1,1-dioxide
PubChem CID11586429
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(3R)-3-butylthiazinane 1,1-dioxide
SMILESCCCC[C@@H]1CCCS(=O)(=O)N1
InChIInChI=1S/C8H17NO2S/c1-2-3-5-8-6-4-7-12(10,11)9-8/h8-9H,2-7H2,1H3/t8-/m1/s1
InChIKeyVLIPXIATUMSWBM-MRVPVSSYSA-N
XLogP1.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-butylthiazinane 1,1-dioxide?
The IUPAC name of (3R)-3-butylthiazinane 1,1-dioxide (CID 11586429) is (3R)-3-butylthiazinane 1,1-dioxide.
What is the SMILES notation for (3R)-3-butylthiazinane 1,1-dioxide?
The canonical SMILES for (3R)-3-butylthiazinane 1,1-dioxide is CCCC[C@@H]1CCCS(=O)(=O)N1.
What is the InChIKey of (3R)-3-butylthiazinane 1,1-dioxide?
The InChIKey is VLIPXIATUMSWBM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-2-3-5-8-6-4-7-12(10,11)9-8/h8-9H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-3-butylthiazinane 1,1-dioxide?
(3R)-3-butylthiazinane 1,1-dioxide has a molecular weight of 191.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-butylthiazinane 1,1-dioxide is sourced from PubChem (CID 11586429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).