(2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride

C6H14ClNO3S — CID 155821715

IUPAC(2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride
SMILESCC1(CN)CS(=O)(=O)CCO1.Cl
InChIInChI=1S/C6H13NO3S.ClH/c1-6(4-7)5-11(8,9)3-2-10-6;/h2-5,7H2,1H3;1H
InChIKeyWVSSBTMRUBJAER-UHFFFAOYSA-N
MW215.70 g/mol
LogP-0.43
Rot. Bonds1

About (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride

(2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride (PubChem CID 155821715) has the molecular formula C6H14ClNO3S and a molecular weight of 215.70 g/mol. Its IUPAC name is (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride
PubChem CID155821715
Molecular FormulaC6H14ClNO3S
Molecular Weight215.70 g/mol
Exact Mass215.04
IUPAC Name(2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride
SMILESCC1(CN)CS(=O)(=O)CCO1.Cl
InChIInChI=1S/C6H13NO3S.ClH/c1-6(4-7)5-11(8,9)3-2-10-6;/h2-5,7H2,1H3;1H
InChIKeyWVSSBTMRUBJAER-UHFFFAOYSA-N
XLogP-0.43
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride?
The IUPAC name of (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride (CID 155821715) is (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride?
The canonical SMILES for (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride is CC1(CN)CS(=O)(=O)CCO1.Cl.
What is the InChIKey of (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride?
The InChIKey is WVSSBTMRUBJAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.ClH/c1-6(4-7)5-11(8,9)3-2-10-6;/h2-5,7H2,1H3;1H.
What are the key properties of (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride?
(2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride has a molecular weight of 215.70 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 155821715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).