N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide

C14H20N4O2S — CID 107366734

IUPACN-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(CCCN)Cc2ccccc2)c1
InChIInChI=1S/C14H20N4O2S/c1-17-11-14(16-12-17)21(19,20)18(9-5-8-15)10-13-6-3-2-4-7-13/h2-4,6-7,11-12H,5,8-10,15H2,1H3
InChIKeyBGWPFNPWEUAPQS-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.96
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide

N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide (PubChem CID 107366734) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide
PubChem CID107366734
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(CCCN)Cc2ccccc2)c1
InChIInChI=1S/C14H20N4O2S/c1-17-11-14(16-12-17)21(19,20)18(9-5-8-15)10-13-6-3-2-4-7-13/h2-4,6-7,11-12H,5,8-10,15H2,1H3
InChIKeyBGWPFNPWEUAPQS-UHFFFAOYSA-N
XLogP0.96
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3-Imidazolylpropyl)amino][benzylamino]methane-1-thione
CID 5153417
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-phenylpiperazine
CID 20958596
1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylphenyl)-4-phenylpyrrolidin-3-amine
CID 90404564
1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine
CID 90404972
4-[(3R,4S)-3-benzyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-methylimidazole
CID 90405330
N-benzyl-N,1-dimethyl-1H-imidazole-4-sulfonamide
CID 2814463
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide
CID 56836671
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide
CID 56836750
N-[2-(3-methylphenyl)ethyl]-1H-imidazole-4-sulfonamide
CID 3236770
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]indoline
CID 3237010
N-[2-(4-methylphenyl)ethyl]-1H-imidazole-4-sulfonamide
CID 3238138
N-{2-[benzyl(methyl)amino]ethyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3240457

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide (CID 107366734) is N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)N(CCCN)Cc2ccccc2)c1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide?
The InChIKey is BGWPFNPWEUAPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-17-11-14(16-12-17)21(19,20)18(9-5-8-15)10-13-6-3-2-4-7-13/h2-4,6-7,11-12H,5,8-10,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide?
N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 107366734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).