2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide

C13H27N3O3S — CID 42955123

IUPAC2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C13H27N3O3S/c1-5-15(10-13(17)14-11(2)3)20(18,19)16-9-7-6-8-12(16)4/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeyPTMPJLGDJFAHNN-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.95
Rot. Bonds6

About 2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide

2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 42955123) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID42955123
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C13H27N3O3S/c1-5-15(10-13(17)14-11(2)3)20(18,19)16-9-7-6-8-12(16)4/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeyPTMPJLGDJFAHNN-UHFFFAOYSA-N
XLogP0.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide (CID 42955123) is 2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)S(=O)(=O)N1CCCCC1C.
What is the InChIKey of 2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is PTMPJLGDJFAHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-5-15(10-13(17)14-11(2)3)20(18,19)16-9-7-6-8-12(16)4/h11-12H,5-10H2,1-4H3,(H,14,17).
What are the key properties of 2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide?
2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 305.44 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 42955123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).