2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide

C8H19N3O4S — CID 61487575

IUPAC2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCCNS(C)(=O)=O
InChIInChI=1S/C8H19N3O4S/c1-15-6-5-10-8(12)7-9-3-4-11-16(2,13)14/h9,11H,3-7H2,1-2H3,(H,10,12)
InChIKeyKIVKXPUWRYADQB-UHFFFAOYSA-N
MW253.32 g/mol
LogP-2.11
Rot. Bonds9

About 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide

2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 61487575) has the molecular formula C8H19N3O4S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide
PubChem CID61487575
Molecular FormulaC8H19N3O4S
Molecular Weight253.32 g/mol
Exact Mass253.11
IUPAC Name2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCCNS(C)(=O)=O
InChIInChI=1S/C8H19N3O4S/c1-15-6-5-10-8(12)7-9-3-4-11-16(2,13)14/h9,11H,3-7H2,1-2H3,(H,10,12)
InChIKeyKIVKXPUWRYADQB-UHFFFAOYSA-N
XLogP-2.11
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(N-methylmethylsulfonamido)-N-(4-morpholinobut-2-yn-1-yl)acetamide
CID 71792713
2-[Bis[2-[bis[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethyl methanesulfonate
CID 89771701
2-[Bis[2-(methylamino)-2-oxoethyl]amino]ethyl methanesulfonate
CID 89771710
N-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane
CID 142083509
N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27129107
N-(2-hydroxyethyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464360
N-(2-methoxyethyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464363
N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464365
N-(3-ethoxypropyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464648
N-[(2R)-1-methoxypropan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464719
N-[(2S)-1-methoxypropan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464721
2-[methyl(methylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 30464723

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide (CID 61487575) is 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNCCNS(C)(=O)=O.
What is the InChIKey of 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is KIVKXPUWRYADQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O4S/c1-15-6-5-10-8(12)7-9-3-4-11-16(2,13)14/h9,11H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide?
2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 253.32 g/mol, XLogP of -2.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)ethylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 61487575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).