[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride

C14H28ClN3O4S — CID 119343283

IUPAC[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCC(C)OCCS(=O)(=O)N1CCN(C(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C14H27N3O4S.ClH/c1-12(2)21-10-11-22(19,20)17-8-6-16(7-9-17)14(18)13-4-3-5-15-13;/h12-13,15H,3-11H2,1-2H3;1H
InChIKeyABQXJYASJUHQAT-UHFFFAOYSA-N
MW369.92 g/mol
LogP0.06
Rot. Bonds6

About [4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride

[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride (PubChem CID 119343283) has the molecular formula C14H28ClN3O4S and a molecular weight of 369.92 g/mol. Its IUPAC name is [4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
PubChem CID119343283
Molecular FormulaC14H28ClN3O4S
Molecular Weight369.92 g/mol
Exact Mass369.15
IUPAC Name[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCC(C)OCCS(=O)(=O)N1CCN(C(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C14H27N3O4S.ClH/c1-12(2)21-10-11-22(19,20)17-8-6-16(7-9-17)14(18)13-4-3-5-15-13;/h12-13,15H,3-11H2,1-2H3;1H
InChIKeyABQXJYASJUHQAT-UHFFFAOYSA-N
XLogP0.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-3-yl-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119818048
[(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone
CID 103808772
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119269718
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119831585
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
2-methyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119297843
(1-aminocyclohexyl)-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119343297
1-(2-propan-2-yloxyethylsulfonyl)azepane
CID 79229911
[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119838561
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129412705

Frequently Asked Questions

What is the IUPAC name of [4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride?
The IUPAC name of [4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride (CID 119343283) is [4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride is CC(C)OCCS(=O)(=O)N1CCN(C(=O)C2CCCN2)CC1.Cl.
What is the InChIKey of [4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride?
The InChIKey is ABQXJYASJUHQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4S.ClH/c1-12(2)21-10-11-22(19,20)17-8-6-16(7-9-17)14(18)13-4-3-5-15-13;/h12-13,15H,3-11H2,1-2H3;1H.
What are the key properties of [4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride?
[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119343283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).