5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide

C9H18N4O2S2 — CID 114236541

IUPAC5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide
SMILESCSCCCN(C)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C9H18N4O2S2/c1-12-7-11-8(10)9(12)17(14,15)13(2)5-4-6-16-3/h7H,4-6,10H2,1-3H3
InChIKeyYNPFXBPYBJIDSR-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.38
Rot. Bonds6

About 5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide

5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide (PubChem CID 114236541) has the molecular formula C9H18N4O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide
PubChem CID114236541
Molecular FormulaC9H18N4O2S2
Molecular Weight278.40 g/mol
Exact Mass278.09
IUPAC Name5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide
SMILESCSCCCN(C)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C9H18N4O2S2/c1-12-7-11-8(10)9(12)17(14,15)13(2)5-4-6-16-3/h7H,4-6,10H2,1-3H3
InChIKeyYNPFXBPYBJIDSR-UHFFFAOYSA-N
XLogP0.38
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide
CID 63978509
5-amino-N,3-dimethyl-N-(2-phenylethyl)imidazole-4-sulfonamide
CID 63980403
5-amino-N,3-dimethyl-N-(pyridin-2-ylmethyl)imidazole-4-sulfonamide
CID 63979640
5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide
CID 104551001
5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63980416
5-amino-N-cyclopentyl-N,3-dimethylimidazole-4-sulfonamide
CID 63978307
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide
CID 102859015
2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 63980022
N-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide
CID 114238260
2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 63978893
1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
CID 115988244
5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide
CID 63979084

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide (CID 114236541) is 5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide is CSCCCN(C)S(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide?
The InChIKey is YNPFXBPYBJIDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S2/c1-12-7-11-8(10)9(12)17(14,15)13(2)5-4-6-16-3/h7H,4-6,10H2,1-3H3.
What are the key properties of 5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide?
5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide has a molecular weight of 278.40 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 114236541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).