(4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide

C7H15NO2S — CID 24808445

IUPAC(4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide
SMILESCC(C)C[C@H]1COS(=O)N1C
InChIInChI=1S/C7H15NO2S/c1-6(2)4-7-5-10-11(9)8(7)3/h6-7H,4-5H2,1-3H3/t7-,11?/m0/s1
InChIKeySQQJVCZXXFDRQT-RGENBBCFSA-N
MW177.27 g/mol
LogP0.94
Rot. Bonds2

About (4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide

(4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide (PubChem CID 24808445) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is (4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide.

Molecular Properties

Compound Name(4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide
PubChem CID24808445
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name(4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide
SMILESCC(C)C[C@H]1COS(=O)N1C
InChIInChI=1S/C7H15NO2S/c1-6(2)4-7-5-10-11(9)8(7)3/h6-7H,4-5H2,1-3H3/t7-,11?/m0/s1
InChIKeySQQJVCZXXFDRQT-RGENBBCFSA-N
XLogP0.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide?
The IUPAC name of (4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide (CID 24808445) is (4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide.
What is the SMILES notation for (4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide?
The canonical SMILES for (4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide is CC(C)C[C@H]1COS(=O)N1C.
What is the InChIKey of (4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide?
The InChIKey is SQQJVCZXXFDRQT-RGENBBCFSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6(2)4-7-5-10-11(9)8(7)3/h6-7H,4-5H2,1-3H3/t7-,11?/m0/s1.
What are the key properties of (4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide?
(4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide has a molecular weight of 177.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-4-(2-methylpropyl)oxathiazolidine 2-oxide is sourced from PubChem (CID 24808445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).