3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide

C9H17N5O3S — CID 63978515

IUPAC3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C9H17N5O3S/c1-13(2)7(15)4-5-12-18(16,17)9-8(10)11-6-14(9)3/h6,12H,4-5,10H2,1-3H3
InChIKeyYZTGSYZDEJZPAQ-UHFFFAOYSA-N
MW275.33 g/mol
LogP-1.24
Rot. Bonds5

About 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide

3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 63978515) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID63978515
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C9H17N5O3S/c1-13(2)7(15)4-5-12-18(16,17)9-8(10)11-6-14(9)3/h6,12H,4-5,10H2,1-3H3
InChIKeyYZTGSYZDEJZPAQ-UHFFFAOYSA-N
XLogP-1.24
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]ethyl carbamate
CID 83202968
5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide
CID 64929209
2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetamide
CID 63977708
5-amino-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-sulfonamide
CID 63977723
5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide
CID 114615039
2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 63980014
5-amino-3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide
CID 63980428
5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide
CID 107212641
2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 63980022
5-amino-3-methyl-N-pentan-3-ylimidazole-4-sulfonamide
CID 63977514
3-[(4-amino-2,6-dichlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126649
3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126072

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide (CID 63978515) is 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNS(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is YZTGSYZDEJZPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-13(2)7(15)4-5-12-18(16,17)9-8(10)11-6-14(9)3/h6,12H,4-5,10H2,1-3H3.
What are the key properties of 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide?
3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 275.33 g/mol, XLogP of -1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 63978515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).