2-(2-ethylsulfonylethylamino)-N-methylpropanamide

C8H18N2O3S — CID 61464372

IUPAC2-(2-ethylsulfonylethylamino)-N-methylpropanamide
SMILESCCS(=O)(=O)CCNC(C)C(=O)NC
InChIInChI=1S/C8H18N2O3S/c1-4-14(12,13)6-5-10-7(2)8(11)9-3/h7,10H,4-6H2,1-3H3,(H,9,11)
InChIKeyXVZNSOMXHKJEOV-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.85
Rot. Bonds6

About 2-(2-ethylsulfonylethylamino)-N-methylpropanamide

2-(2-ethylsulfonylethylamino)-N-methylpropanamide (PubChem CID 61464372) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethylamino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-ethylsulfonylethylamino)-N-methylpropanamide
PubChem CID61464372
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-(2-ethylsulfonylethylamino)-N-methylpropanamide
SMILESCCS(=O)(=O)CCNC(C)C(=O)NC
InChIInChI=1S/C8H18N2O3S/c1-4-14(12,13)6-5-10-7(2)8(11)9-3/h7,10H,4-6H2,1-3H3,(H,9,11)
InChIKeyXVZNSOMXHKJEOV-UHFFFAOYSA-N
XLogP-0.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(2-methylsulfonylethylamino)propanamide
CID 60918919
N-methyl-2-(2-sulfamoylethylamino)propanamide
CID 114384925
2-(2-ethylsulfonylethylamino)propanoic acid
CID 43808018
ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61464453
2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide
CID 113407022
ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671956
methyl 2-(3-ethylsulfonylpropylamino)propanoate
CID 65092726
2-(2-cyclopentylethylamino)-N-methylpropanamide
CID 60919372
N-methyl-2-(prop-2-ynylamino)propanamide
CID 43086395
3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide
CID 103581021
(1R)-1-cyclopentyl-N-(2-ethylsulfonylethyl)ethanamine
CID 81394699
N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine
CID 63926903

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethylamino)-N-methylpropanamide?
The IUPAC name of 2-(2-ethylsulfonylethylamino)-N-methylpropanamide (CID 61464372) is 2-(2-ethylsulfonylethylamino)-N-methylpropanamide.
What is the SMILES notation for 2-(2-ethylsulfonylethylamino)-N-methylpropanamide?
The canonical SMILES for 2-(2-ethylsulfonylethylamino)-N-methylpropanamide is CCS(=O)(=O)CCNC(C)C(=O)NC.
What is the InChIKey of 2-(2-ethylsulfonylethylamino)-N-methylpropanamide?
The InChIKey is XVZNSOMXHKJEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-4-14(12,13)6-5-10-7(2)8(11)9-3/h7,10H,4-6H2,1-3H3,(H,9,11).
What are the key properties of 2-(2-ethylsulfonylethylamino)-N-methylpropanamide?
2-(2-ethylsulfonylethylamino)-N-methylpropanamide has a molecular weight of 222.31 g/mol, XLogP of -0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethylamino)-N-methylpropanamide is sourced from PubChem (CID 61464372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).