4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride

C12H26Cl2N2O3S — CID 110175298

IUPAC4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride
SMILESO=S(CC[NH+]1CCOCC1)CC[NH+]1CCOCC1.[Cl-].[Cl-]
InChIInChI=1S/C12H24N2O3S.2ClH/c15-18(11-5-13-1-7-16-8-2-13)12-6-14-3-9-17-10-4-14;;/h1-12H2;2*1H
InChIKeyCDAWONBFEDOQPB-UHFFFAOYSA-N
MW349.32 g/mol
LogP-9.43
Rot. Bonds6

About 4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride

4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride (PubChem CID 110175298) has the molecular formula C12H26Cl2N2O3S and a molecular weight of 349.32 g/mol. Its IUPAC name is 4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride.

Molecular Properties

Compound Name4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride
PubChem CID110175298
Molecular FormulaC12H26Cl2N2O3S
Molecular Weight349.32 g/mol
Exact Mass348.10
IUPAC Name4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride
SMILESO=S(CC[NH+]1CCOCC1)CC[NH+]1CCOCC1.[Cl-].[Cl-]
InChIInChI=1S/C12H24N2O3S.2ClH/c15-18(11-5-13-1-7-16-8-2-13)12-6-14-3-9-17-10-4-14;;/h1-12H2;2*1H
InChIKeyCDAWONBFEDOQPB-UHFFFAOYSA-N
XLogP-9.43
TPSA44.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 5-9.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-morpholin-4-ium-4-ylethylsulfanyl)ethyl]morpholin-4-ium dichloride
CID 110175239
2-morpholin-4-ium-4-ylethanol iodide
CID 89439326
4-butylmorpholin-4-ium
CID 18931037
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholin-4-ium
CID 140879614
2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide
CID 7065669
10-morpholin-4-ium-4-yldecan-1-ol iodide
CID 89438909
5-(3-morpholin-4-ium-4-ylpropyl)-1,3,5-triazinan-5-ium-2-thione
CID 6987895
1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride
CID 2748202
acetonitrile;4-butylmorpholin-4-ium
CID 86752402
2-hydrazinyl-N-(2-morpholin-4-ium-4-ylethyl)-2-oxoacetamide
CID 7405671
2-morpholin-4-ium-4-ylethyl 3-sulfanylpropanoate
CID 168757856
4-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]morpholin-4-ium
CID 7436889

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride?
The IUPAC name of 4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride (CID 110175298) is 4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride.
What is the SMILES notation for 4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride?
The canonical SMILES for 4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride is O=S(CC[NH+]1CCOCC1)CC[NH+]1CCOCC1.[Cl-].[Cl-].
What is the InChIKey of 4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride?
The InChIKey is CDAWONBFEDOQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S.2ClH/c15-18(11-5-13-1-7-16-8-2-13)12-6-14-3-9-17-10-4-14;;/h1-12H2;2*1H.
What are the key properties of 4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride?
4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride has a molecular weight of 349.32 g/mol, XLogP of -9.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride is sourced from PubChem (CID 110175298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).