(3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide

C16H24N2O2S — CID 8971441

IUPAC(3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
SMILESCc1ccc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-14-2-4-15(5-3-14)12-17-7-9-18(10-8-17)16-6-11-21(19,20)13-16/h2-5,16H,6-13H2,1H3/t16-/m1/s1
InChIKeyCVEHEIRCBSYRHB-MRXNPFEDSA-N
MW308.45 g/mol
LogP1.30
Rot. Bonds3

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

(3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide (PubChem CID 8971441) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is (3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
PubChem CID8971441
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name(3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
SMILESCc1ccc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-14-2-4-15(5-3-14)12-17-7-9-18(10-8-17)16-6-11-21(19,20)13-16/h2-5,16H,6-13H2,1H3/t16-/m1/s1
InChIKeyCVEHEIRCBSYRHB-MRXNPFEDSA-N
XLogP1.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 42916794
4-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methylphenyl)piperazine-1-carbothioamide
CID 8600244
2-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole-3-thione
CID 30635627
(3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 30693470
2-[4-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 112773553
(3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 97085497
[3-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 112844471
4-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 31136077
2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole-3-thione
CID 30670704
N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetamide
CID 30626990
4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine
CID 171326906
ethyl 2-[[2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]acetyl]amino]-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate
CID 51109311

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide?
The IUPAC name of (3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide (CID 8971441) is (3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide is Cc1ccc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1.
What is the InChIKey of (3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide?
The InChIKey is CVEHEIRCBSYRHB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-14-2-4-15(5-3-14)12-17-7-9-18(10-8-17)16-6-11-21(19,20)13-16/h2-5,16H,6-13H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide?
(3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide has a molecular weight of 308.45 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 8971441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).