[(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone

C18H26N2O4S — CID 26776175

IUPAC[(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-2-4-15-6-8-16(9-7-15)25(22,23)20-12-10-19(11-13-20)18(21)17-5-3-14-24-17/h6-9,17H,2-5,10-14H2,1H3/t17-/m0/s1
InChIKeyFXCIKHRMCOJBML-KRWDZBQOSA-N
MW366.48 g/mol
LogP1.65
Rot. Bonds5

About [(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone

[(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 26776175) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID26776175
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name[(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-2-4-15-6-8-16(9-7-15)25(22,23)20-12-10-19(11-13-20)18(21)17-5-3-14-24-17/h6-9,17H,2-5,10-14H2,1H3/t17-/m0/s1
InChIKeyFXCIKHRMCOJBML-KRWDZBQOSA-N
XLogP1.65
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one
CID 55451032
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 55330043
[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 51983158
3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110366006
4-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile
CID 55415210
[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124505554
[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55330456
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119269764
(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 112765347
[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 55344290
[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 119269754

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone (CID 26776175) is [(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone is CCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1.
What is the InChIKey of [(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is FXCIKHRMCOJBML-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-2-4-15-6-8-16(9-7-15)25(22,23)20-12-10-19(11-13-20)18(21)17-5-3-14-24-17/h6-9,17H,2-5,10-14H2,1H3/t17-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone?
[(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 366.48 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 26776175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).