(4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride

C6H13Cl2NO3S — CID 122164036

IUPAC(4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride
SMILESCN1CCOC(CS(=O)(=O)Cl)C1.Cl
InChIInChI=1S/C6H12ClNO3S.ClH/c1-8-2-3-11-6(4-8)5-12(7,9)10;/h6H,2-5H2,1H3;1H
InChIKeyNZVZZXUEFKWDSG-UHFFFAOYSA-N
MW250.15 g/mol
LogP0.31
Rot. Bonds2

About (4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride

(4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride (PubChem CID 122164036) has the molecular formula C6H13Cl2NO3S and a molecular weight of 250.15 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride
PubChem CID122164036
Molecular FormulaC6H13Cl2NO3S
Molecular Weight250.15 g/mol
Exact Mass249.00
IUPAC Name(4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride
SMILESCN1CCOC(CS(=O)(=O)Cl)C1.Cl
InChIInChI=1S/C6H12ClNO3S.ClH/c1-8-2-3-11-6(4-8)5-12(7,9)10;/h6H,2-5H2,1H3;1H
InChIKeyNZVZZXUEFKWDSG-UHFFFAOYSA-N
XLogP0.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride?
The IUPAC name of (4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride (CID 122164036) is (4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride.
What is the SMILES notation for (4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride?
The canonical SMILES for (4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride is CN1CCOC(CS(=O)(=O)Cl)C1.Cl.
What is the InChIKey of (4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride?
The InChIKey is NZVZZXUEFKWDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO3S.ClH/c1-8-2-3-11-6(4-8)5-12(7,9)10;/h6H,2-5H2,1H3;1H.
What are the key properties of (4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride?
(4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride has a molecular weight of 250.15 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)methanesulfonyl chloride;hydrochloride is sourced from PubChem (CID 122164036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).