2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide

C12H22N2O2S — CID 71971595

IUPAC2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)NCC1CCCS1
InChIInChI=1S/C12H22N2O2S/c1-12(2,3)11(16)14-8-10(15)13-7-9-5-4-6-17-9/h9H,4-8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyQSEVWFYZWFIPKN-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.16
Rot. Bonds4

About 2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide (PubChem CID 71971595) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide
PubChem CID71971595
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)NCC1CCCS1
InChIInChI=1S/C12H22N2O2S/c1-12(2,3)11(16)14-8-10(15)13-7-9-5-4-6-17-9/h9H,4-8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyQSEVWFYZWFIPKN-UHFFFAOYSA-N
XLogP1.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide (CID 71971595) is 2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)NCC1CCCS1.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide?
The InChIKey is QSEVWFYZWFIPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-12(2,3)11(16)14-8-10(15)13-7-9-5-4-6-17-9/h9H,4-8H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide has a molecular weight of 258.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]propanamide is sourced from PubChem (CID 71971595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).