2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide

C7H14N4O2S — CID 64511725

IUPAC2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)CCN
InChIInChI=1S/C7H14N4O2S/c1-11(14(12,13)5-2-8)6-7-9-3-4-10-7/h3-4H,2,5-6,8H2,1H3,(H,9,10)
InChIKeyXKMXTYUFHBYFCV-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.87
Rot. Bonds5

About 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide

2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide (PubChem CID 64511725) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide
PubChem CID64511725
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)CCN
InChIInChI=1S/C7H14N4O2S/c1-11(14(12,13)5-2-8)6-7-9-3-4-10-7/h3-4H,2,5-6,8H2,1H3,(H,9,10)
InChIKeyXKMXTYUFHBYFCV-UHFFFAOYSA-N
XLogP-0.87
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
CID 64518721
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 106594600
3-amino-4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64512733
N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 64517854
5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide
CID 113383240
4-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbenzenesulfonamide
CID 106919444
4-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64517941
4-(1-aminoethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64516922
3-amino-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzenesulfonamide
CID 64512154
2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64518046
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271336
3-amino-N-(1H-imidazol-2-ylmethyl)-N,2,6-trimethylbenzenesulfonamide
CID 64511956

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide?
The IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide (CID 64511725) is 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide.
What is the SMILES notation for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide?
The canonical SMILES for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide?
The InChIKey is XKMXTYUFHBYFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-11(14(12,13)5-2-8)6-7-9-3-4-10-7/h3-4H,2,5-6,8H2,1H3,(H,9,10).
What are the key properties of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide?
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide is sourced from PubChem (CID 64511725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).