N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide

C9H18N4O3S — CID 104594021

IUPACN-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCC(O)CNCCNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C9H18N4O3S/c1-8(14)5-10-3-4-12-17(15,16)9-6-13(2)7-11-9/h6-8,10,12,14H,3-5H2,1-2H3
InChIKeyMRBWJAQPAPAVEK-UHFFFAOYSA-N
MW262.33 g/mol
LogP-1.33
Rot. Bonds7

About N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide

N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 104594021) has the molecular formula C9H18N4O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID104594021
Molecular FormulaC9H18N4O3S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCC(O)CNCCNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C9H18N4O3S/c1-8(14)5-10-3-4-12-17(15,16)9-6-13(2)7-11-9/h6-8,10,12,14H,3-5H2,1-2H3
InChIKeyMRBWJAQPAPAVEK-UHFFFAOYSA-N
XLogP-1.33
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[2-(propan-2-ylamino)ethyl]imidazole-4-sulfonamide
CID 62664968
N-(2,3-dihydroxypropyl)-1-methylimidazole-4-sulfonamide
CID 66175851
N-(3-bromobutyl)-1-methylimidazole-4-sulfonamide
CID 114297718
2-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62675882
3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62374275
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide
CID 107973596
N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide
CID 106125952
N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 62666691
1-methyl-N-pentylimidazole-4-sulfonamide
CID 18961136
1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride
CID 18961157
N-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
CID 119507705
N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide
CID 63730763

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide (CID 104594021) is N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide is CC(O)CNCCNS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is MRBWJAQPAPAVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S/c1-8(14)5-10-3-4-12-17(15,16)9-6-13(2)7-11-9/h6-8,10,12,14H,3-5H2,1-2H3.
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide?
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 262.33 g/mol, XLogP of -1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 104594021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).