4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide

C7H15NOS — CID 89045410

IUPAC4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide
SMILESCC(C)N1CS(=O)CC1C
InChIInChI=1S/C7H15NOS/c1-6(2)8-5-10(9)4-7(8)3/h6-7H,4-5H2,1-3H3
InChIKeyBMKRWJIGILVFOP-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.81
Rot. Bonds1

About 4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide

4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide (PubChem CID 89045410) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide
PubChem CID89045410
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide
SMILESCC(C)N1CS(=O)CC1C
InChIInChI=1S/C7H15NOS/c1-6(2)8-5-10(9)4-7(8)3/h6-7H,4-5H2,1-3H3
InChIKeyBMKRWJIGILVFOP-UHFFFAOYSA-N
XLogP0.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide?
The IUPAC name of 4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide (CID 89045410) is 4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide.
What is the SMILES notation for 4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide?
The canonical SMILES for 4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide is CC(C)N1CS(=O)CC1C.
What is the InChIKey of 4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide?
The InChIKey is BMKRWJIGILVFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-6(2)8-5-10(9)4-7(8)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide?
4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide has a molecular weight of 161.27 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-1,3-thiazolidine 1-oxide is sourced from PubChem (CID 89045410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).