(4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine

C7H15NOS — CID 91191590

IUPAC(4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine
SMILESCC(C)[C@]1(C)COSN1C
InChIInChI=1S/C7H15NOS/c1-6(2)7(3)5-9-10-8(7)4/h6H,5H2,1-4H3/t7-/m0/s1
InChIKeyVJSSKGMXBCEJMO-ZETCQYMHSA-N
MW161.27 g/mol
LogP1.93
Rot. Bonds1

About (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine

(4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine (PubChem CID 91191590) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine.

Molecular Properties

Compound Name(4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine
PubChem CID91191590
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine
SMILESCC(C)[C@]1(C)COSN1C
InChIInChI=1S/C7H15NOS/c1-6(2)7(3)5-9-10-8(7)4/h6H,5H2,1-4H3/t7-/m0/s1
InChIKeyVJSSKGMXBCEJMO-ZETCQYMHSA-N
XLogP1.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine?
The IUPAC name of (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine (CID 91191590) is (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine.
What is the SMILES notation for (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine?
The canonical SMILES for (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine is CC(C)[C@]1(C)COSN1C.
What is the InChIKey of (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine?
The InChIKey is VJSSKGMXBCEJMO-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NOS/c1-6(2)7(3)5-9-10-8(7)4/h6H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine?
(4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine has a molecular weight of 161.27 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,4-dimethyl-4-propan-2-yloxathiazolidine is sourced from PubChem (CID 91191590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).