3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide

C10H23N3O3S — CID 65266947

IUPAC3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-9(2,10(3,4)11)8(14)13-6-5-7-17(12,15)16/h5-7,11H2,1-4H3,(H,13,14)(H2,12,15,16)
InChIKeyHIDWWPZKWYIPMN-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.46
Rot. Bonds6

About 3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide

3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide (PubChem CID 65266947) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide
PubChem CID65266947
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-9(2,10(3,4)11)8(14)13-6-5-7-17(12,15)16/h5-7,11H2,1-4H3,(H,13,14)(H2,12,15,16)
InChIKeyHIDWWPZKWYIPMN-UHFFFAOYSA-N
XLogP-0.46
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
3-[(2-amino-2-methylpropanoyl)amino]propane-1-sulfonic acid
CID 59745216
2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide
CID 80549830
3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide
CID 65267164
2,2-difluoro-N-(3-sulfamoylpropyl)acetamide
CID 103514706
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide
CID 65264682
3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
CID 65269830
tert-butyl N-(5-sulfamoylpentyl)carbamate
CID 166997835
3-oxo-3-(3-sulfamoylpropylamino)propanoic acid
CID 62230975
N-(3-sulfamoylpropyl)prop-2-ynamide
CID 61132242
2-methoxy-N-(3-sulfamoylpropyl)propanamide
CID 115589849
3,3,3-trifluoro-2-methyl-2-(3-sulfamoylpropylcarbamoylamino)propanoic acid
CID 79801914

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide (CID 65266947) is 3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide is CC(C)(N)C(C)(C)C(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide?
The InChIKey is HIDWWPZKWYIPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-9(2,10(3,4)11)8(14)13-6-5-7-17(12,15)16/h5-7,11H2,1-4H3,(H,13,14)(H2,12,15,16).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide?
3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide has a molecular weight of 265.38 g/mol, XLogP of -0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide is sourced from PubChem (CID 65266947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).