(1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide

C8H17NOS — CID 124511876

IUPAC(1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide
SMILESCC(C)[C@H]1C[S@](=O)C[C@H](C)N1
InChIInChI=1S/C8H17NOS/c1-6(2)8-5-11(10)4-7(3)9-8/h6-9H,4-5H2,1-3H3/t7-,8+,11+/m0/s1
InChIKeyLHWWJCRDCKOXET-VAOFZXAKSA-N
MW175.30 g/mol
LogP0.75
Rot. Bonds1

About (1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide

(1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide (PubChem CID 124511876) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is (1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name(1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide
PubChem CID124511876
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name(1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide
SMILESCC(C)[C@H]1C[S@](=O)C[C@H](C)N1
InChIInChI=1S/C8H17NOS/c1-6(2)8-5-11(10)4-7(3)9-8/h6-9H,4-5H2,1-3H3/t7-,8+,11+/m0/s1
InChIKeyLHWWJCRDCKOXET-VAOFZXAKSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide 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 (1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide?
The IUPAC name of (1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide (CID 124511876) is (1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide.
What is the SMILES notation for (1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide?
The canonical SMILES for (1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide is CC(C)[C@H]1C[S@](=O)C[C@H](C)N1.
What is the InChIKey of (1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide?
The InChIKey is LHWWJCRDCKOXET-VAOFZXAKSA-N. The full InChI is InChI=1S/C8H17NOS/c1-6(2)8-5-11(10)4-7(3)9-8/h6-9H,4-5H2,1-3H3/t7-,8+,11+/m0/s1.
What are the key properties of (1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide?
(1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide has a molecular weight of 175.30 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S)-3-methyl-5-propan-2-yl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 124511876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).