1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride

C17H26ClN3O3S — CID 119687257

IUPAC1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCl.O=C(CC1CCCN1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H25N3O3S.ClH/c21-17(13-16-7-4-8-18-16)19-9-11-20(12-10-19)24(22,23)14-15-5-2-1-3-6-15;/h1-3,5-6,16,18H,4,7-14H2;1H
InChIKeyQYNUALAZZUNQSV-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.22
Rot. Bonds5

About 1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride

1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride (PubChem CID 119687257) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
PubChem CID119687257
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCl.O=C(CC1CCCN1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H25N3O3S.ClH/c21-17(13-16-7-4-8-18-16)19-9-11-20(12-10-19)24(22,23)14-15-5-2-1-3-6-15;/h1-3,5-6,16,18H,4,7-14H2;1H
InChIKeyQYNUALAZZUNQSV-UHFFFAOYSA-N
XLogP1.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-phenylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119838033
4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride
CID 119701502
1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119698792
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119678798
N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119692936
2-(4-aminophenyl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone;hydrochloride
CID 119687217
1-(4-benzylsulfonyl-1,4-diazepan-1-yl)-2-chloroethanone
CID 156907199
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119833010
1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119754563
1-(4-benzylsulfonylpiperazin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119687248
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119832684

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The IUPAC name of 1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride (CID 119687257) is 1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride is Cl.O=C(CC1CCCN1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
The InChIKey is QYNUALAZZUNQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c21-17(13-16-7-4-8-18-16)19-9-11-20(12-10-19)24(22,23)14-15-5-2-1-3-6-15;/h1-3,5-6,16,18H,4,7-14H2;1H.
What are the key properties of 1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride?
1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride is sourced from PubChem (CID 119687257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).