2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide

C12H25N3O3S — CID 65242038

IUPAC2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide
SMILESCNC1(CC(=O)NCCCS(N)(=O)=O)CCCCC1
InChIInChI=1S/C12H25N3O3S/c1-14-12(6-3-2-4-7-12)10-11(16)15-8-5-9-19(13,17)18/h14H,2-10H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyCVOWPKASAJOCMR-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.09
Rot. Bonds7

About 2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide

2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide (PubChem CID 65242038) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide
PubChem CID65242038
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide
SMILESCNC1(CC(=O)NCCCS(N)(=O)=O)CCCCC1
InChIInChI=1S/C12H25N3O3S/c1-14-12(6-3-2-4-7-12)10-11(16)15-8-5-9-19(13,17)18/h14H,2-10H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyCVOWPKASAJOCMR-UHFFFAOYSA-N
XLogP0.09
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.09
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-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide (CID 65242038) is 2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide is CNC1(CC(=O)NCCCS(N)(=O)=O)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide?
The InChIKey is CVOWPKASAJOCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-14-12(6-3-2-4-7-12)10-11(16)15-8-5-9-19(13,17)18/h14H,2-10H2,1H3,(H,15,16)(H2,13,17,18).
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide?
2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide has a molecular weight of 291.42 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide is sourced from PubChem (CID 65242038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).