2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide

C14H28N2O4S — CID 113066137

IUPAC2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O4S/c1-4-12(5-2)14(17)15-8-9-16(21(3,18)19)11-13-7-6-10-20-13/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyHVVWWAMLZQNUHT-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.98
Rot. Bonds9

About 2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide

2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide (PubChem CID 113066137) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
PubChem CID113066137
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O4S/c1-4-12(5-2)14(17)15-8-9-16(21(3,18)19)11-13-7-6-10-20-13/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyHVVWWAMLZQNUHT-UHFFFAOYSA-N
XLogP0.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
CID 113066185
3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
CID 113066133
N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113137927
N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide
CID 113066193
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide
CID 113066194
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide
CID 113066227
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113149591
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 113137944
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide
CID 113068127
2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide
CID 112991314
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138003

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide (CID 113066137) is 2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide is CCC(CC)C(=O)NCCN(CC1CCCO1)S(C)(=O)=O.
What is the InChIKey of 2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide?
The InChIKey is HVVWWAMLZQNUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-4-12(5-2)14(17)15-8-9-16(21(3,18)19)11-13-7-6-10-20-13/h12-13H,4-11H2,1-3H3,(H,15,17).
What are the key properties of 2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide?
2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide has a molecular weight of 320.46 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide is sourced from PubChem (CID 113066137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).