N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide

C13H26N2O4S — CID 113065636

IUPACN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
SMILESCCC(C)N(CCNC(=O)C1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O4S/c1-4-11(2)15(20(3,17)18)8-7-14-13(16)12-5-9-19-10-6-12/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyFTYBJYAMQVLXOD-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.59
Rot. Bonds7

About N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide

N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide (PubChem CID 113065636) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
PubChem CID113065636
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
SMILESCCC(C)N(CCNC(=O)C1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O4S/c1-4-11(2)15(20(3,17)18)8-7-14-13(16)12-5-9-19-10-6-12/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyFTYBJYAMQVLXOD-UHFFFAOYSA-N
XLogP0.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
CID 113068065
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
N-[2-[acetyl(cyclopropyl)amino]ethyl]oxane-4-carboxamide
CID 113052174
N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide
CID 113051902
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]oxane-4-carboxamide
CID 113069640
N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide
CID 113056620
2-(oxane-4-carbonylamino)ethanesulfonyl fluoride
CID 154772944
N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
CID 113067193
N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide
CID 138048746
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
CID 113068395
N-(2-aminopropyl)oxane-4-carboxamide
CID 15035314
N-[(2R)-2-(ethylamino)propyl]oxane-4-carboxamide;hydrochloride
CID 120650436

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide (CID 113065636) is N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide is CCC(C)N(CCNC(=O)C1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide?
The InChIKey is FTYBJYAMQVLXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-4-11(2)15(20(3,17)18)8-7-14-13(16)12-5-9-19-10-6-12/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide?
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113065636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).