2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide

C19H37N3O2S — CID 51359912

IUPAC2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCCCCCCN1CCN(C2CN(C3CCCCC3)S(=O)(=O)C2)CC1
InChIInChI=1S/C19H37N3O2S/c1-2-3-4-8-11-20-12-14-21(15-13-20)19-16-22(25(23,24)17-19)18-9-6-5-7-10-18/h18-19H,2-17H2,1H3
InChIKeyFMJYOBZXQSQQOH-UHFFFAOYSA-N
MW371.59 g/mol
LogP2.53
Rot. Bonds7

About 2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide

2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359912) has the molecular formula C19H37N3O2S and a molecular weight of 371.59 g/mol. Its IUPAC name is 2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID51359912
Molecular FormulaC19H37N3O2S
Molecular Weight371.59 g/mol
Exact Mass371.26
IUPAC Name2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCCCCCCN1CCN(C2CN(C3CCCCC3)S(=O)(=O)C2)CC1
InChIInChI=1S/C19H37N3O2S/c1-2-3-4-8-11-20-12-14-21(15-13-20)19-16-22(25(23,24)17-19)18-9-6-5-7-10-18/h18-19H,2-17H2,1H3
InChIKeyFMJYOBZXQSQQOH-UHFFFAOYSA-N
XLogP2.53
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.59
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide (CID 51359912) is 2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide is CCCCCCN1CCN(C2CN(C3CCCCC3)S(=O)(=O)C2)CC1.
What is the InChIKey of 2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is FMJYOBZXQSQQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2S/c1-2-3-4-8-11-20-12-14-21(15-13-20)19-16-22(25(23,24)17-19)18-9-6-5-7-10-18/h18-19H,2-17H2,1H3.
What are the key properties of 2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 371.59 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).