3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide

C9H21N3O3S — CID 106337551

IUPAC3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C9H21N3O3S/c1-7(8(2)10)9(13)11-5-6-16(14,15)12(3)4/h7-8H,5-6,10H2,1-4H3,(H,11,13)
InChIKeyGJPMFFUNNCCDKW-UHFFFAOYSA-N
MW251.35 g/mol
LogP-1.02
Rot. Bonds6

About 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide

3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide (PubChem CID 106337551) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide
PubChem CID106337551
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C9H21N3O3S/c1-7(8(2)10)9(13)11-5-6-16(14,15)12(3)4/h7-8H,5-6,10H2,1-4H3,(H,11,13)
InChIKeyGJPMFFUNNCCDKW-UHFFFAOYSA-N
XLogP-1.02
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 ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide
CID 103581021
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide
CID 114175289
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106335483
2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide
CID 106337528
(2R)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337291
2-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106338828
3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 114175825
2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 106341239
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106335493
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106337531

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide (CID 106337551) is 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide is CC(N)C(C)C(=O)NCCS(=O)(=O)N(C)C.
What is the InChIKey of 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide?
The InChIKey is GJPMFFUNNCCDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-7(8(2)10)9(13)11-5-6-16(14,15)12(3)4/h7-8H,5-6,10H2,1-4H3,(H,11,13).
What are the key properties of 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide?
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide has a molecular weight of 251.35 g/mol, XLogP of -1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 106337551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).