5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide

C10H18N4O2S2 — CID 113487202

IUPAC5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCC1CCSCC1
InChIInChI=1S/C10H18N4O2S2/c1-14-7-12-9(11)10(14)18(15,16)13-6-8-2-4-17-5-3-8/h7-8,13H,2-6,11H2,1H3
InChIKeyIBJTVEXFIMHWRW-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.42
Rot. Bonds4

About 5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide

5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide (PubChem CID 113487202) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide
PubChem CID113487202
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCC1CCSCC1
InChIInChI=1S/C10H18N4O2S2/c1-14-7-12-9(11)10(14)18(15,16)13-6-8-2-4-17-5-3-8/h7-8,13H,2-6,11H2,1H3
InChIKeyIBJTVEXFIMHWRW-UHFFFAOYSA-N
XLogP0.42
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]imidazole-4-sulfonamide
CID 107411072
2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate
CID 83202968
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide
CID 63978130
5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide
CID 64929209
5-amino-3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide
CID 63980428
5-amino-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-sulfonamide
CID 63977723
5-amino-N-(2,3-dimethylcyclopentyl)-3-methylimidazole-4-sulfonamide
CID 64909714
2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 63980014
3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide
CID 63978515
4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106078610
5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide
CID 107212641
5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide
CID 107624736

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide (CID 113487202) is 5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)NCC1CCSCC1.
What is the InChIKey of 5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is IBJTVEXFIMHWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-14-7-12-9(11)10(14)18(15,16)13-6-8-2-4-17-5-3-8/h7-8,13H,2-6,11H2,1H3.
What are the key properties of 5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide?
5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-N-(thian-4-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 113487202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).