(2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

C17H26N2O5S — CID 97251654

IUPAC(2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1OC(C)C
InChIInChI=1S/C17H26N2O5S/c1-12(2)24-16-6-5-15(11-13(16)3)25(22,23)19-9-7-18(8-10-19)17(21)14(4)20/h5-6,11-12,14,20H,7-10H2,1-4H3/t14-/m1/s1
InChIKeyFSZAPGIMEAOXFX-CQSZACIVSA-N
MW370.47 g/mol
LogP1.00
Rot. Bonds5

About (2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

(2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 97251654) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID97251654
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name(2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1OC(C)C
InChIInChI=1S/C17H26N2O5S/c1-12(2)24-16-6-5-15(11-13(16)3)25(22,23)19-9-7-18(8-10-19)17(21)14(4)20/h5-6,11-12,14,20H,7-10H2,1-4H3/t14-/m1/s1
InChIKeyFSZAPGIMEAOXFX-CQSZACIVSA-N
XLogP1.00
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one with MolForge

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Related Compounds

methyl 4-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-1,4-diazepane-1-carboxylate
CID 110799116
1-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963163
1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817215
1-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 39633304
(3aS,6aR)-5-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120665697
2-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 39616919
1-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 39626611
(3-methoxy-4-propan-2-yloxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2103456
ethyl 4-(4-bromo-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 26947788
[(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79027858
ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 6472617
(2S)-2-amino-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119678959

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 97251654) is (2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1OC(C)C.
What is the InChIKey of (2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is FSZAPGIMEAOXFX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-12(2)24-16-6-5-15(11-13(16)3)25(22,23)19-9-7-18(8-10-19)17(21)14(4)20/h5-6,11-12,14,20H,7-10H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
(2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 370.47 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 97251654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).