(5-methylsulfonyloxan-2-yl)methanamine;hydrochloride

C7H16ClNO3S — CID 153295942

IUPAC(5-methylsulfonyloxan-2-yl)methanamine;hydrochloride
SMILESCS(=O)(=O)C1CCC(CN)OC1.Cl
InChIInChI=1S/C7H15NO3S.ClH/c1-12(9,10)7-3-2-6(4-8)11-5-7;/h6-7H,2-5,8H2,1H3;1H
InChIKeyJSJCPLAIHFXTJL-UHFFFAOYSA-N
MW229.73 g/mol
LogP-0.04
Rot. Bonds2

About (5-methylsulfonyloxan-2-yl)methanamine;hydrochloride

(5-methylsulfonyloxan-2-yl)methanamine;hydrochloride (PubChem CID 153295942) has the molecular formula C7H16ClNO3S and a molecular weight of 229.73 g/mol. Its IUPAC name is (5-methylsulfonyloxan-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-methylsulfonyloxan-2-yl)methanamine;hydrochloride
PubChem CID153295942
Molecular FormulaC7H16ClNO3S
Molecular Weight229.73 g/mol
Exact Mass229.05
IUPAC Name(5-methylsulfonyloxan-2-yl)methanamine;hydrochloride
SMILESCS(=O)(=O)C1CCC(CN)OC1.Cl
InChIInChI=1S/C7H15NO3S.ClH/c1-12(9,10)7-3-2-6(4-8)11-5-7;/h6-7H,2-5,8H2,1H3;1H
InChIKeyJSJCPLAIHFXTJL-UHFFFAOYSA-N
XLogP-0.04
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylsulfonyloxan-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-methylsulfonyloxan-2-yl)methanamine;hydrochloride (CID 153295942) is (5-methylsulfonyloxan-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-methylsulfonyloxan-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-methylsulfonyloxan-2-yl)methanamine;hydrochloride is CS(=O)(=O)C1CCC(CN)OC1.Cl.
What is the InChIKey of (5-methylsulfonyloxan-2-yl)methanamine;hydrochloride?
The InChIKey is JSJCPLAIHFXTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S.ClH/c1-12(9,10)7-3-2-6(4-8)11-5-7;/h6-7H,2-5,8H2,1H3;1H.
What are the key properties of (5-methylsulfonyloxan-2-yl)methanamine;hydrochloride?
(5-methylsulfonyloxan-2-yl)methanamine;hydrochloride has a molecular weight of 229.73 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfonyloxan-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 153295942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).