(3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide

C18H28N2O3S — CID 97085497

IUPAC(3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
SMILESCC(C)Oc1ccccc1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H28N2O3S/c1-15(2)23-18-6-4-3-5-16(18)13-19-8-10-20(11-9-19)17-7-12-24(21,22)14-17/h3-6,15,17H,7-14H2,1-2H3/t17-/m1/s1
InChIKeySUNWCXFMDCSYML-QGZVFWFLSA-N
MW352.50 g/mol
LogP1.78
Rot. Bonds5

About (3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide

(3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide (PubChem CID 97085497) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is (3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
PubChem CID97085497
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name(3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
SMILESCC(C)Oc1ccccc1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H28N2O3S/c1-15(2)23-18-6-4-3-5-16(18)13-19-8-10-20(11-9-19)17-7-12-24(21,22)14-17/h3-6,15,17H,7-14H2,1-2H3/t17-/m1/s1
InChIKeySUNWCXFMDCSYML-QGZVFWFLSA-N
XLogP1.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide with MolForge

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Related Compounds

1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
(3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 8971441
3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 42916794
(2R)-2-hydroxy-2-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489722
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478
1-[(3R)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95590514
1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 53369786
3-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]-4-fluorobenzonitrile
CID 42927921
1-(2-methylphenyl)sulfonyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine
CID 45366345
1-butylsulfonyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine
CID 110360184
3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 84593330
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide?
The IUPAC name of (3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide (CID 97085497) is (3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide is CC(C)Oc1ccccc1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of (3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide?
The InChIKey is SUNWCXFMDCSYML-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-15(2)23-18-6-4-3-5-16(18)13-19-8-10-20(11-9-19)17-7-12-24(21,22)14-17/h3-6,15,17H,7-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide?
(3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide has a molecular weight of 352.50 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 97085497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).