(1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol

C17H26N2O3S — CID 97039254

IUPAC(1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C[C@H](O)C3CC3)CC2)c1
InChIInChI=1S/C17H26N2O3S/c1-13-3-4-14(2)17(11-13)23(21,22)19-9-7-18(8-10-19)12-16(20)15-5-6-15/h3-4,11,15-16,20H,5-10,12H2,1-2H3/t16-/m0/s1
InChIKeyMOLXJJJSUZARLS-INIZCTEOSA-N
MW338.47 g/mol
LogP1.38
Rot. Bonds5

About (1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol

(1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 97039254) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID97039254
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C[C@H](O)C3CC3)CC2)c1
InChIInChI=1S/C17H26N2O3S/c1-13-3-4-14(2)17(11-13)23(21,22)19-9-7-18(8-10-19)12-16(20)15-5-6-15/h3-4,11,15-16,20H,5-10,12H2,1-2H3/t16-/m0/s1
InChIKeyMOLXJJJSUZARLS-INIZCTEOSA-N
XLogP1.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclopropyl-2-(4-((2-fluorophenyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783511
1-Cyclopropyl-2-(4-((4-fluorobenzyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783521
(S)-1-[1-(2,5-xylylsulfonyl)-4-piperidyl]-3-pyrrolidinol
CID 97415182
3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 47006266
1-Cyclopropyl-2-(4-((2,4-difluorophenyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783504
(3R,4R)-4-[(dimethylamino)methyl]-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 164638539
N-ethyl-N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]hexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 139733953
(3R,4R)-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpiperidin-3-ol
CID 132530456
(3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 135044550
(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 135044668
1-(5-Fluoro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 3281274
1-(4-Fluoro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 43502937

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of (1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol (CID 97039254) is (1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for (1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol is Cc1ccc(C)c(S(=O)(=O)N2CCN(C[C@H](O)C3CC3)CC2)c1.
What is the InChIKey of (1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is MOLXJJJSUZARLS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-3-4-14(2)17(11-13)23(21,22)19-9-7-18(8-10-19)12-16(20)15-5-6-15/h3-4,11,15-16,20H,5-10,12H2,1-2H3/t16-/m0/s1.
What are the key properties of (1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol?
(1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 338.47 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 97039254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).