N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide

C10H22N2O3S — CID 115356498

IUPACN-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide
SMILESCCS(=O)(=O)CCNCC(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O3S/c1-5-16(14,15)7-6-11-8-9(13)12-10(2,3)4/h11H,5-8H2,1-4H3,(H,12,13)
InChIKeyIALAUJVGSBKBQJ-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.07
Rot. Bonds6

About N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide

N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide (PubChem CID 115356498) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide
PubChem CID115356498
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide
SMILESCCS(=O)(=O)CCNCC(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O3S/c1-5-16(14,15)7-6-11-8-9(13)12-10(2,3)4/h11H,5-8H2,1-4H3,(H,12,13)
InChIKeyIALAUJVGSBKBQJ-UHFFFAOYSA-N
XLogP-0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 114110989
N-tert-butyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79551841
N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide
CID 28581448
2-(ethylamino)-N-(2-ethylsulfonylethyl)acetamide
CID 103810362
N-tert-butyl-2-(1-ethylsulfonylpropan-2-ylamino)acetamide
CID 113350703
N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide
CID 115356567
6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid
CID 115356547
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395
2-(2-tert-butylsulfonylethylamino)-N-methylacetamide
CID 106723192
N-tert-butyl-2-(2-hydroxybutylamino)acetamide
CID 115356599
N-tert-butyl-2-(2-hydroxyethylsulfonylamino)acetamide
CID 115356606
N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide
CID 106246865

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide?
The IUPAC name of N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide (CID 115356498) is N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide is CCS(=O)(=O)CCNCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide?
The InChIKey is IALAUJVGSBKBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-5-16(14,15)7-6-11-8-9(13)12-10(2,3)4/h11H,5-8H2,1-4H3,(H,12,13).
What are the key properties of N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide?
N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide has a molecular weight of 250.36 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide is sourced from PubChem (CID 115356498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).