2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine

C16H32N4O2S — CID 51360710

IUPAC2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(C2CN(C3CCCC3)S(=O)(=O)C2)CC1
InChIInChI=1S/C16H32N4O2S/c1-17(2)7-8-18-9-11-19(12-10-18)16-13-20(23(21,22)14-16)15-5-3-4-6-15/h15-16H,3-14H2,1-2H3
InChIKeyNDJWTGDVHBDNIX-UHFFFAOYSA-N
MW344.53 g/mol
LogP0.12
Rot. Bonds5

About 2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine

2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 51360710) has the molecular formula C16H32N4O2S and a molecular weight of 344.53 g/mol. Its IUPAC name is 2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID51360710
Molecular FormulaC16H32N4O2S
Molecular Weight344.53 g/mol
Exact Mass344.22
IUPAC Name2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(C2CN(C3CCCC3)S(=O)(=O)C2)CC1
InChIInChI=1S/C16H32N4O2S/c1-17(2)7-8-18-9-11-19(12-10-18)16-13-20(23(21,22)14-16)15-5-3-4-6-15/h15-16H,3-14H2,1-2H3
InChIKeyNDJWTGDVHBDNIX-UHFFFAOYSA-N
XLogP0.12
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine (CID 51360710) is 2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(C2CN(C3CCCC3)S(=O)(=O)C2)CC1.
What is the InChIKey of 2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is NDJWTGDVHBDNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2S/c1-17(2)7-8-18-9-11-19(12-10-18)16-13-20(23(21,22)14-16)15-5-3-4-6-15/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 344.53 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 51360710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).