2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide

C11H23N3O3S — CID 64678442

IUPAC2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide
SMILESNC1(CC(=O)NCCCS(N)(=O)=O)CCCCC1
InChIInChI=1S/C11H23N3O3S/c12-11(5-2-1-3-6-11)9-10(15)14-7-4-8-18(13,16)17/h1-9,12H2,(H,14,15)(H2,13,16,17)
InChIKeyQZQYAKKBBFWQMB-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.17
Rot. Bonds6

About 2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide

2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide (PubChem CID 64678442) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide
PubChem CID64678442
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide
SMILESNC1(CC(=O)NCCCS(N)(=O)=O)CCCCC1
InChIInChI=1S/C11H23N3O3S/c12-11(5-2-1-3-6-11)9-10(15)14-7-4-8-18(13,16)17/h1-9,12H2,(H,14,15)(H2,13,16,17)
InChIKeyQZQYAKKBBFWQMB-UHFFFAOYSA-N
XLogP-0.17
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.17
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide (CID 64678442) is 2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide is NC1(CC(=O)NCCCS(N)(=O)=O)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide?
The InChIKey is QZQYAKKBBFWQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c12-11(5-2-1-3-6-11)9-10(15)14-7-4-8-18(13,16)17/h1-9,12H2,(H,14,15)(H2,13,16,17).
What are the key properties of 2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide?
2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide has a molecular weight of 277.39 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide is sourced from PubChem (CID 64678442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).