3-methylsulfonyloxan-4-amine

C6H13NO3S — CID 62783654

IUPAC3-methylsulfonyloxan-4-amine
SMILESCS(=O)(=O)C1COCCC1N
InChIInChI=1S/C6H13NO3S/c1-11(8,9)6-4-10-3-2-5(6)7/h5-6H,2-4,7H2,1H3
InChIKeyLRLNCHNDASMRGK-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.85
Rot. Bonds1

About 3-methylsulfonyloxan-4-amine

3-methylsulfonyloxan-4-amine (PubChem CID 62783654) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-methylsulfonyloxan-4-amine.

Molecular Properties

Compound Name3-methylsulfonyloxan-4-amine
PubChem CID62783654
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name3-methylsulfonyloxan-4-amine
SMILESCS(=O)(=O)C1COCCC1N
InChIInChI=1S/C6H13NO3S/c1-11(8,9)6-4-10-3-2-5(6)7/h5-6H,2-4,7H2,1H3
InChIKeyLRLNCHNDASMRGK-UHFFFAOYSA-N
XLogP-0.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyloxan-4-amine?
The IUPAC name of 3-methylsulfonyloxan-4-amine (CID 62783654) is 3-methylsulfonyloxan-4-amine.
What is the SMILES notation for 3-methylsulfonyloxan-4-amine?
The canonical SMILES for 3-methylsulfonyloxan-4-amine is CS(=O)(=O)C1COCCC1N.
What is the InChIKey of 3-methylsulfonyloxan-4-amine?
The InChIKey is LRLNCHNDASMRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-11(8,9)6-4-10-3-2-5(6)7/h5-6H,2-4,7H2,1H3.
What are the key properties of 3-methylsulfonyloxan-4-amine?
3-methylsulfonyloxan-4-amine has a molecular weight of 179.24 g/mol, XLogP of -0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyloxan-4-amine is sourced from PubChem (CID 62783654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).