2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide

C9H21N3O3S — CID 52576050

IUPAC2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C9H21N3O3S/c1-6-12(7-2)9(13)8-11(5)16(14,15)10(3)4/h6-8H2,1-5H3
InChIKeyDJJQRXZSORKFGA-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.41
Rot. Bonds6

About 2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide

2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide (PubChem CID 52576050) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide
PubChem CID52576050
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C9H21N3O3S/c1-6-12(7-2)9(13)8-11(5)16(14,15)10(3)4/h6-8H2,1-5H3
InChIKeyDJJQRXZSORKFGA-UHFFFAOYSA-N
XLogP-0.41
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-diethylacetamide
CID 61456794
2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 82076047
N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide
CID 97347551
2-[4-chlorobutylsulfonyl(methyl)amino]-N,N-diethylacetamide
CID 116815382
2-(diethylamino)-N,N-diethylacetamide
CID 13352066
2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 78793216
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide
CID 86911516
N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride
CID 168874337
N,N-diethyl-2-[methyl(propyl)amino]acetamide
CID 135175911
2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 61116268
2-[(2-chloroacetyl)-methylamino]-N,N-diethylacetamide
CID 60693102
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61028167

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide (CID 52576050) is 2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)S(=O)(=O)N(C)C.
What is the InChIKey of 2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide?
The InChIKey is DJJQRXZSORKFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-6-12(7-2)9(13)8-11(5)16(14,15)10(3)4/h6-8H2,1-5H3.
What are the key properties of 2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide?
2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide has a molecular weight of 251.35 g/mol, XLogP of -0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylsulfamoyl(methyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 52576050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).