N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide

C9H18N4O2S — CID 106125952

IUPACN-(4-aminopentyl)-1-methylimidazole-4-sulfonamide
SMILESCC(N)CCCNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C9H18N4O2S/c1-8(10)4-3-5-12-16(14,15)9-6-13(2)7-11-9/h6-8,12H,3-5,10H2,1-2H3
InChIKeyMSFGOGGFCBLHHM-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.17
Rot. Bonds6

About N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide

N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide (PubChem CID 106125952) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-1-methylimidazole-4-sulfonamide
PubChem CID106125952
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN-(4-aminopentyl)-1-methylimidazole-4-sulfonamide
SMILESCC(N)CCCNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C9H18N4O2S/c1-8(10)4-3-5-12-16(14,15)9-6-13(2)7-11-9/h6-8,12H,3-5,10H2,1-2H3
InChIKeyMSFGOGGFCBLHHM-UHFFFAOYSA-N
XLogP-0.17
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide
CID 15100236
N-(3-bromobutyl)-1-methylimidazole-4-sulfonamide
CID 114297718
1-methyl-N-pentylimidazole-4-sulfonamide
CID 18961136
1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride
CID 18961157
1-methyl-N-[2-(propan-2-ylamino)ethyl]imidazole-4-sulfonamide
CID 62664968
N-(3-amino-3-phenylpropyl)-1-methylimidazole-4-sulfonamide
CID 80506785
N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide
CID 63730763
N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 62666691
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide
CID 104594021
methyl 6-[(1-methylimidazol-4-yl)sulfonylamino]hexanoate
CID 62374971
1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
CID 3078101
3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62374275

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide (CID 106125952) is N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide is CC(N)CCCNS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is MSFGOGGFCBLHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-8(10)4-3-5-12-16(14,15)9-6-13(2)7-11-9/h6-8,12H,3-5,10H2,1-2H3.
What are the key properties of N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide?
N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 106125952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).