4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide

C19H29N3O2S — CID 51360663

IUPAC4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCN(CC3CC3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C19H29N3O2S/c23-25(24)16-19(15-22(25)9-8-17-4-2-1-3-5-17)21-12-10-20(11-13-21)14-18-6-7-18/h1-5,18-19H,6-16H2
InChIKeyKMUFGOUQEBYBDM-UHFFFAOYSA-N
MW363.53 g/mol
LogP1.27
Rot. Bonds6

About 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide

4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360663) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID51360663
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCN(CC3CC3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C19H29N3O2S/c23-25(24)16-19(15-22(25)9-8-17-4-2-1-3-5-17)21-12-10-20(11-13-21)14-18-6-7-18/h1-5,18-19H,6-16H2
InChIKeyKMUFGOUQEBYBDM-UHFFFAOYSA-N
XLogP1.27
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hexylpiperazin-1-yl)-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide
CID 51360660
2-(2-phenylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162074
1-(azetidin-3-yl)-4-(2-phenylethyl)piperazine
CID 66202494
1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine
CID 110708725
1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 66985098
1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride
CID 68753959
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-(oxan-4-yl)-4-(2-phenylethyl)-1,4-diazepane-6-carboxamide
CID 127245419
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
1-[1-(2-phenylethyl)azetidin-3-yl]piperazine
CID 66203365
1-(4-nitrophenyl)-4-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride
CID 68755234
(2S)-1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)pyrrolidine-2-carboxylic acid
CID 139389854

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide (CID 51360663) is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCN(CC3CC3)CC2)CN1CCc1ccccc1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is KMUFGOUQEBYBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c23-25(24)16-19(15-22(25)9-8-17-4-2-1-3-5-17)21-12-10-20(11-13-21)14-18-6-7-18/h1-5,18-19H,6-16H2.
What are the key properties of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide?
4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 363.53 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-phenylethyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).