2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole

C11H21N5O2S — CID 106069204

IUPAC2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole
SMILESCN(CCCNC1CC1)S(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H21N5O2S/c1-16(8-2-5-12-10-3-4-10)19(17,18)15-9-11-13-6-7-14-11/h6-7,10,12,15H,2-5,8-9H2,1H3,(H,13,14)
InChIKeyKSRCBHYWSIEZAB-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.18
Rot. Bonds9

About 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole

2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole (PubChem CID 106069204) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole
PubChem CID106069204
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole
SMILESCN(CCCNC1CC1)S(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C11H21N5O2S/c1-16(8-2-5-12-10-3-4-10)19(17,18)15-9-11-13-6-7-14-11/h6-7,10,12,15H,2-5,8-9H2,1H3,(H,13,14)
InChIKeyKSRCBHYWSIEZAB-UHFFFAOYSA-N
XLogP-0.18
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.18
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-[(dimethylsulfamoylamino)methyl]-1H-imidazole
CID 64532113
5-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1-methylpyrazole
CID 106064953
2-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-imidazole
CID 64529326
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine
CID 106054981
1-bromo-2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]benzene
CID 106051888
2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole
CID 106085278
4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide
CID 106081694
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-4,5-dimethyl-1,3-oxazole
CID 106378302
3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine
CID 106084052
3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine
CID 106086534
4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole
CID 106094989
2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069321

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole?
The IUPAC name of 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole (CID 106069204) is 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole?
The canonical SMILES for 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole is CN(CCCNC1CC1)S(=O)(=O)NCc1ncc[nH]1.
What is the InChIKey of 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole?
The InChIKey is KSRCBHYWSIEZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-16(8-2-5-12-10-3-4-10)19(17,18)15-9-11-13-6-7-14-11/h6-7,10,12,15H,2-5,8-9H2,1H3,(H,13,14).
What are the key properties of 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole?
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole has a molecular weight of 287.39 g/mol, XLogP of -0.18, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole is sourced from PubChem (CID 106069204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).