2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide

C20H31N3O2S — CID 51360711

IUPAC2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1cccc(CN2CCN(C3CN(C4CCCC4)S(=O)(=O)C3)CC2)c1
InChIInChI=1S/C20H31N3O2S/c1-17-5-4-6-18(13-17)14-21-9-11-22(12-10-21)20-15-23(26(24,25)16-20)19-7-2-3-8-19/h4-6,13,19-20H,2-3,7-12,14-16H2,1H3
InChIKeyMXVKJVOYGJEBRO-UHFFFAOYSA-N
MW377.55 g/mol
LogP2.07
Rot. Bonds4

About 2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide

2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360711) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is 2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID51360711
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC Name2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1cccc(CN2CCN(C3CN(C4CCCC4)S(=O)(=O)C3)CC2)c1
InChIInChI=1S/C20H31N3O2S/c1-17-5-4-6-18(13-17)14-21-9-11-22(12-10-21)20-15-23(26(24,25)16-20)19-7-2-3-8-19/h4-6,13,19-20H,2-3,7-12,14-16H2,1H3
InChIKeyMXVKJVOYGJEBRO-UHFFFAOYSA-N
XLogP2.07
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide (CID 51360711) is 2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is Cc1cccc(CN2CCN(C3CN(C4CCCC4)S(=O)(=O)C3)CC2)c1.
What is the InChIKey of 2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is MXVKJVOYGJEBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-17-5-4-6-18(13-17)14-21-9-11-22(12-10-21)20-15-23(26(24,25)16-20)19-7-2-3-8-19/h4-6,13,19-20H,2-3,7-12,14-16H2,1H3.
What are the key properties of 2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide?
2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 377.55 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).