N-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide

C11H24N2O3S — CID 146264011

IUPACN-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide
SMILESCCC(=O)NCCS(=O)(=O)CCNC(C)(C)C
InChIInChI=1S/C11H24N2O3S/c1-5-10(14)12-6-8-17(15,16)9-7-13-11(2,3)4/h13H,5-9H2,1-4H3,(H,12,14)
InChIKeyNGGBIMYIHVOIMX-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.32
Rot. Bonds7

About N-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide

N-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide (PubChem CID 146264011) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide
PubChem CID146264011
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide
SMILESCCC(=O)NCCS(=O)(=O)CCNC(C)(C)C
InChIInChI=1S/C11H24N2O3S/c1-5-10(14)12-6-8-17(15,16)9-7-13-11(2,3)4/h13H,5-9H2,1-4H3,(H,12,14)
InChIKeyNGGBIMYIHVOIMX-UHFFFAOYSA-N
XLogP0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64123102
N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 43054119
N-tert-butyl-2-ethylsulfonylpropanamide
CID 60452842
2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 75414899
N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
CID 5107420
N-(1,1-Dioxidotetrahydrothiophen-3-yl)pivalamide
CID 45595595
N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide
CID 166638056
Bis[2-(n-butyrylamino)ethyl]sulfoxide
CID 13624920
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide
CID 79810936
2-(2-amino-2-methylpropyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 81188798
2-amino-N-(2-ethylsulfonylethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 105775884
N-(3-amino-2,2-difluoropropyl)-3-(2-methylpropylsulfonyl)propanamide
CID 120409981

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide?
The IUPAC name of N-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide (CID 146264011) is N-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide?
The canonical SMILES for N-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide is CCC(=O)NCCS(=O)(=O)CCNC(C)(C)C.
What is the InChIKey of N-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide?
The InChIKey is NGGBIMYIHVOIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-5-10(14)12-6-8-17(15,16)9-7-13-11(2,3)4/h13H,5-9H2,1-4H3,(H,12,14).
What are the key properties of N-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide?
N-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide has a molecular weight of 264.39 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(tert-butylamino)ethylsulfonyl]ethyl]propanamide is sourced from PubChem (CID 146264011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).