5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide

C7H14N4O3S — CID 107212641

IUPAC5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide
SMILESC[C@@H](CO)NS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C7H14N4O3S/c1-5(3-12)10-15(13,14)7-6(8)9-4-11(7)2/h4-5,10,12H,3,8H2,1-2H3/t5-/m0/s1
InChIKeyVJDDGIFDDIUCBH-YFKPBYRVSA-N
MW234.28 g/mol
LogP-1.34
Rot. Bonds4

About 5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide

5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide (PubChem CID 107212641) has the molecular formula C7H14N4O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide
PubChem CID107212641
Molecular FormulaC7H14N4O3S
Molecular Weight234.28 g/mol
Exact Mass234.08
IUPAC Name5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide
SMILESC[C@@H](CO)NS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C7H14N4O3S/c1-5(3-12)10-15(13,14)7-6(8)9-4-11(7)2/h4-5,10,12H,3,8H2,1-2H3/t5-/m0/s1
InChIKeyVJDDGIFDDIUCBH-YFKPBYRVSA-N
XLogP-1.34
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-methyl-N-pentan-3-ylimidazole-4-sulfonamide
CID 63977514
5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide
CID 64929209
2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 63980014
5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide
CID 104551001
2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetamide
CID 63977708
5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide
CID 114615039
4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide
CID 106150769
2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide
CID 65427987
2-amino-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-sulfonamide
CID 107212659
2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate
CID 83202968
3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide
CID 63978515
5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide
CID 63978492

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide (CID 107212641) is 5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide is C[C@@H](CO)NS(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide?
The InChIKey is VJDDGIFDDIUCBH-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N4O3S/c1-5(3-12)10-15(13,14)7-6(8)9-4-11(7)2/h4-5,10,12H,3,8H2,1-2H3/t5-/m0/s1.
What are the key properties of 5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide?
5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide has a molecular weight of 234.28 g/mol, XLogP of -1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 107212641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).