4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide

C13H24N4O2S — CID 106081694

IUPAC4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)NCCCc1ncc[nH]1
InChIInChI=1S/C13H24N4O2S/c18-20(19,11-2-1-7-14-12-5-6-12)17-8-3-4-13-15-9-10-16-13/h9-10,12,14,17H,1-8,11H2,(H,15,16)
InChIKeyRJIRRMWTCULMDV-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.79
Rot. Bonds11

About 4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide

4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide (PubChem CID 106081694) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide
PubChem CID106081694
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)NCCCc1ncc[nH]1
InChIInChI=1S/C13H24N4O2S/c18-20(19,11-2-1-7-14-12-5-6-12)17-8-3-4-13-15-9-10-16-13/h9-10,12,14,17H,1-8,11H2,(H,15,16)
InChIKeyRJIRRMWTCULMDV-UHFFFAOYSA-N
XLogP0.79
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.79
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

2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole
CID 106069204
4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide
CID 115522833
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 114810323
3-(cyclopropylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
CID 106017944
8-(1H-imidazol-2-yl)octane-1-sulfonic acid
CID 18415205
4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide
CID 114137508
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704
4-(cyclopropylamino)-N-(1,2,4-triazin-3-yl)butane-1-sulfonamide
CID 114142213
1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 116657997

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide (CID 106081694) is 4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide is O=S(=O)(CCCCNC1CC1)NCCCc1ncc[nH]1.
What is the InChIKey of 4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide?
The InChIKey is RJIRRMWTCULMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c18-20(19,11-2-1-7-14-12-5-6-12)17-8-3-4-13-15-9-10-16-13/h9-10,12,14,17H,1-8,11H2,(H,15,16).
What are the key properties of 4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide?
4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.79, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide is sourced from PubChem (CID 106081694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).