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

C9H21N3O3S — CID 106337531

IUPAC3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)CC(C)(C)N
InChIInChI=1S/C9H21N3O3S/c1-9(2,10)7-8(13)11-5-6-16(14,15)12(3)4/h5-7,10H2,1-4H3,(H,11,13)
InChIKeyCFZYXFSQOUXNEO-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.88
Rot. Bonds6

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

3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide (PubChem CID 106337531) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
PubChem CID106337531
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)CC(C)(C)N
InChIInChI=1S/C9H21N3O3S/c1-9(2,10)7-8(13)11-5-6-16(14,15)12(3)4/h5-7,10H2,1-4H3,(H,11,13)
InChIKeyCFZYXFSQOUXNEO-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

3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide
CID 106336943
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide
CID 114175289
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106335493
2-amino-N-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]acetamide
CID 114175259
3-amino-3-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 64679060
4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid
CID 106334792
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylbutanamide
CID 64684461
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106333044
2-[4-(aminomethyl)phenyl]-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106333131
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide
CID 106337551

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide (CID 106337531) is 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide is CN(C)S(=O)(=O)CCNC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide?
The InChIKey is CFZYXFSQOUXNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-9(2,10)7-8(13)11-5-6-16(14,15)12(3)4/h5-7,10H2,1-4H3,(H,11,13).
What are the key properties of 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide?
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide 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 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 106337531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).