1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole

C10H20N4O2S — CID 56812922

IUPAC1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole
SMILESCC(C)N(C)S(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C10H20N4O2S/c1-10(2)13(3)17(15,16)12-5-4-7-14-8-6-11-9-14/h6,8-10,12H,4-5,7H2,1-3H3
InChIKeyUYPIJGGYPWWGNH-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.45
Rot. Bonds7

About 1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole

1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole (PubChem CID 56812922) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole.

Molecular Properties

Compound Name1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole
PubChem CID56812922
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole
SMILESCC(C)N(C)S(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C10H20N4O2S/c1-10(2)13(3)17(15,16)12-5-4-7-14-8-6-11-9-14/h6,8-10,12H,4-5,7H2,1-3H3
InChIKeyUYPIJGGYPWWGNH-UHFFFAOYSA-N
XLogP0.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)ethanesulfonamide
CID 19685069
N-(6-imidazol-1-ylhexyl)methanesulfonamide
CID 110441232
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]imidazole
CID 106018170
2-N-(3-imidazol-1-ylpropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54960832
N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide
CID 106054419
3-imidazol-1-ylpropylurea
CID 22179621
N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine
CID 43773808
N-(3-imidazol-1-ylpropyl)-4-methylsulfanylbenzenesulfonamide
CID 6459195
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
3-imidazol-1-yl-N-(2-methylsulfanylethyl)propan-1-amine
CID 60685316
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine
CID 28993992

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole?
The IUPAC name of 1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole (CID 56812922) is 1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole.
What is the SMILES notation for 1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole?
The canonical SMILES for 1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole is CC(C)N(C)S(=O)(=O)NCCCn1ccnc1.
What is the InChIKey of 1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole?
The InChIKey is UYPIJGGYPWWGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-10(2)13(3)17(15,16)12-5-4-7-14-8-6-11-9-14/h6,8-10,12H,4-5,7H2,1-3H3.
What are the key properties of 1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole?
1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole has a molecular weight of 260.36 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole is sourced from PubChem (CID 56812922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).