N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide

C9H21N3O3S — CID 119627585

IUPACN-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide
SMILESCCS(=O)(=O)N(C)CC(=O)NCC(C)(C)N
InChIInChI=1S/C9H21N3O3S/c1-5-16(14,15)12(4)6-8(13)11-7-9(2,3)10/h5-7,10H2,1-4H3,(H,11,13)
InChIKeyDVFXODIKGWGLJB-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.88
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide

N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide (PubChem CID 119627585) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide
PubChem CID119627585
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC NameN-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide
SMILESCCS(=O)(=O)N(C)CC(=O)NCC(C)(C)N
InChIInChI=1S/C9H21N3O3S/c1-5-16(14,15)12(4)6-8(13)11-7-9(2,3)10/h5-7,10H2,1-4H3,(H,11,13)
InChIKeyDVFXODIKGWGLJB-UHFFFAOYSA-N
XLogP-0.88
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N~1~-isobutyl-N~2~-methyl-N~2~-(methylsulfonyl)glycinamide
CID 30464341
N-(2-methylpropyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]-methylsulfonylamino]acetamide
CID 40067441
4-Butylsulfonylpiperazin-2-one
CID 47371379
N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide
CID 56789563
N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide
CID 135037692
2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55257321
N-[2-(methanesulfonamido)-2-methylpropyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958521
2-amino-3,3,3-trifluoro-2-methyl-N-(2-sulfamoylethyl)propanamide
CID 79797351
2-amino-3,3,3-trifluoro-2-methyl-N-(3-sulfamoylpropyl)propanamide
CID 79811546
3,3-Dimethyl-4-(4,4,4-trifluorobutylsulfonyl)piperazin-2-one
CID 82903557
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 106336586
2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 106337201

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide (CID 119627585) is N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide is CCS(=O)(=O)N(C)CC(=O)NCC(C)(C)N.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide?
The InChIKey is DVFXODIKGWGLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-5-16(14,15)12(4)6-8(13)11-7-9(2,3)10/h5-7,10H2,1-4H3,(H,11,13).
What are the key properties of N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide?
N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide has a molecular weight of 251.35 g/mol, XLogP of -0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide is sourced from PubChem (CID 119627585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).