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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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).