2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide

C11H24N2O3S — CID 114232817

IUPAC2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide
SMILESCCNC(C)CC(C)S(=O)(=O)CC(=O)N(C)C
InChIInChI=1S/C11H24N2O3S/c1-6-12-9(2)7-10(3)17(15,16)8-11(14)13(4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyAGYMMTNMGOITLE-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.27
Rot. Bonds7

About 2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide

2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide (PubChem CID 114232817) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide
PubChem CID114232817
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide
SMILESCCNC(C)CC(C)S(=O)(=O)CC(=O)N(C)C
InChIInChI=1S/C11H24N2O3S/c1-6-12-9(2)7-10(3)17(15,16)8-11(14)13(4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyAGYMMTNMGOITLE-UHFFFAOYSA-N
XLogP0.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide (CID 114232817) is 2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide is CCNC(C)CC(C)S(=O)(=O)CC(=O)N(C)C.
What is the InChIKey of 2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide?
The InChIKey is AGYMMTNMGOITLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-6-12-9(2)7-10(3)17(15,16)8-11(14)13(4)5/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide?
2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide has a molecular weight of 264.39 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide is sourced from PubChem (CID 114232817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).