[4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone

C15H21N3O4S — CID 119678332

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O4S/c19-15(14-12-16-6-11-22-14)17-7-9-18(10-8-17)23(20,21)13-4-2-1-3-5-13/h1-5,14,16H,6-12H2
InChIKeyMOJPRUINVBNWBZ-UHFFFAOYSA-N
MW339.42 g/mol
LogP-0.49
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone

[4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone (PubChem CID 119678332) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
PubChem CID119678332
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O4S/c19-15(14-12-16-6-11-22-14)17-7-9-18(10-8-17)23(20,21)13-4-2-1-3-5-13/h1-5,14,16H,6-12H2
InChIKeyMOJPRUINVBNWBZ-UHFFFAOYSA-N
XLogP-0.49
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-morpholin-2-ylmethanone
CID 119696011
morpholin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119680788
[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119686787
morpholin-2-yl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 119698790
1-[4-(morpholine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 74237629
[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-piperidin-3-ylmethanone
CID 119302951
[1-(morpholine-2-carbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119699768
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 9087045
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119720695
[4-(furan-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119673067
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 119678305
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119756657

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone (CID 119678332) is [4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone is O=C(C1CNCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone?
The InChIKey is MOJPRUINVBNWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c19-15(14-12-16-6-11-22-14)17-7-9-18(10-8-17)23(20,21)13-4-2-1-3-5-13/h1-5,14,16H,6-12H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone?
[4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone has a molecular weight of 339.42 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 119678332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).