morpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride

C14H28ClN3O5S — CID 119818048

IUPACmorpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCC(C)OCCS(=O)(=O)N1CCN(C(=O)C2COCCN2)CC1.Cl
InChIInChI=1S/C14H27N3O5S.ClH/c1-12(2)22-9-10-23(19,20)17-6-4-16(5-7-17)14(18)13-11-21-8-3-15-13;/h12-13,15H,3-11H2,1-2H3;1H
InChIKeyMRQOVZBGRSSGFX-UHFFFAOYSA-N
MW385.91 g/mol
LogP-0.70
Rot. Bonds6

About morpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride

morpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119818048) has the molecular formula C14H28ClN3O5S and a molecular weight of 385.91 g/mol. Its IUPAC name is morpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namemorpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119818048
Molecular FormulaC14H28ClN3O5S
Molecular Weight385.91 g/mol
Exact Mass385.14
IUPAC Namemorpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCC(C)OCCS(=O)(=O)N1CCN(C(=O)C2COCCN2)CC1.Cl
InChIInChI=1S/C14H27N3O5S.ClH/c1-12(2)22-9-10-23(19,20)17-6-4-16(5-7-17)14(18)13-11-21-8-3-15-13;/h12-13,15H,3-11H2,1-2H3;1H
InChIKeyMRQOVZBGRSSGFX-UHFFFAOYSA-N
XLogP-0.70
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119343283
morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119730727
(2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119343269
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-morpholin-3-ylmethanone
CID 119694698
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone
CID 119678670
(2S)-2-amino-3,3-dimethyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119818068
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119755465
1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride
CID 119875990
1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79229270
(1-aminocyclohexyl)-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119343297

Frequently Asked Questions

What is the IUPAC name of morpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of morpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride (CID 119818048) is morpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for morpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for morpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride is CC(C)OCCS(=O)(=O)N1CCN(C(=O)C2COCCN2)CC1.Cl.
What is the InChIKey of morpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is MRQOVZBGRSSGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O5S.ClH/c1-12(2)22-9-10-23(19,20)17-6-4-16(5-7-17)14(18)13-11-21-8-3-15-13;/h12-13,15H,3-11H2,1-2H3;1H.
What are the key properties of morpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride?
morpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 385.91 g/mol, XLogP of -0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119818048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).