3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride

C7H15Cl2NO3S — CID 22007742

IUPAC3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)CCCN1CCOCC1
InChIInChI=1S/C7H14ClNO3S.ClH/c8-13(10,11)7-1-2-9-3-5-12-6-4-9;/h1-7H2;1H
InChIKeyVZSCGSIGWQNSML-UHFFFAOYSA-N
MW264.17 g/mol
LogP0.70
Rot. Bonds4

About 3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride

3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride (PubChem CID 22007742) has the molecular formula C7H15Cl2NO3S and a molecular weight of 264.17 g/mol. Its IUPAC name is 3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride
PubChem CID22007742
Molecular FormulaC7H15Cl2NO3S
Molecular Weight264.17 g/mol
Exact Mass263.01
IUPAC Name3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)CCCN1CCOCC1
InChIInChI=1S/C7H14ClNO3S.ClH/c8-13(10,11)7-1-2-9-3-5-12-6-4-9;/h1-7H2;1H
InChIKeyVZSCGSIGWQNSML-UHFFFAOYSA-N
XLogP0.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Mops
CID 70807
4-Morpholineethanesulfonic acid
CID 78165
4-Morpholinepropanesulfonic acid, sodium salt (1:1)
CID 3859613
4-Morpholineethanesulfonic acid, sodium salt (1:1)
CID 23673676
2-(N-Morpholino)ethanesulfonic acid hydrate
CID 16218417
4-Morpholineethanesulfonic acid, potassium salt (1:1)
CID 23702142
4-(2-Methylsulfonylethyl)morpholine
CID 22278680
2-(Morpholin-4-yl)ethane-1-sulfonyl chloride hydrochloride
CID 75525709
4-(Cyclopropanesulfonyl)morpholine
CID 49669635
2-Morpholin-4-ylethanesulfonate
CID 4599203
3-(N-morpholino)propanesulfonate
CID 3830057
(4-Methylmorpholin-2-yl)methanesulfonyl chloride hydrochloride
CID 122164036

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride?
The IUPAC name of 3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride (CID 22007742) is 3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride.
What is the SMILES notation for 3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride?
The canonical SMILES for 3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride is Cl.O=S(=O)(Cl)CCCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride?
The InChIKey is VZSCGSIGWQNSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3S.ClH/c8-13(10,11)7-1-2-9-3-5-12-6-4-9;/h1-7H2;1H.
What are the key properties of 3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride?
3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride has a molecular weight of 264.17 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropane-1-sulfonyl chloride;hydrochloride is sourced from PubChem (CID 22007742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).