N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide

C11H22N2O3S — CID 49068184

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCN1CCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-10(2)4-5-11(14)12-6-8-13-7-3-9-17(13,15)16/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyKHMKBRYOWJULBL-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.57
Rot. Bonds6

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide (PubChem CID 49068184) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide
PubChem CID49068184
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCN1CCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-10(2)4-5-11(14)12-6-8-13-7-3-9-17(13,15)16/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyKHMKBRYOWJULBL-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide (CID 49068184) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide is CC(C)CCC(=O)NCCN1CCCS1(=O)=O.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide?
The InChIKey is KHMKBRYOWJULBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-10(2)4-5-11(14)12-6-8-13-7-3-9-17(13,15)16/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide has a molecular weight of 262.37 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 49068184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).