N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide

C7H14N4O2S — CID 104873303

IUPACN-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N[C@H](C)CN)[nH]1
InChIInChI=1S/C7H14N4O2S/c1-5(3-8)11-14(12,13)7-4-9-6(2)10-7/h4-5,11H,3,8H2,1-2H3,(H,9,10)/t5-/m1/s1
InChIKeyAZNNGMWNFKUGJC-RXMQYKEDSA-N
MW218.28 g/mol
LogP-0.66
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide

N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 104873303) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID104873303
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)N[C@H](C)CN)[nH]1
InChIInChI=1S/C7H14N4O2S/c1-5(3-8)11-14(12,13)7-4-9-6(2)10-7/h4-5,11H,3,8H2,1-2H3,(H,9,10)/t5-/m1/s1
InChIKeyAZNNGMWNFKUGJC-RXMQYKEDSA-N
XLogP-0.66
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 79027971
N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 114212253
N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 114150899
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103943227
N-[(2R)-1-aminopropan-2-yl]-6-methylpyridine-3-sulfonamide
CID 120712871
2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide
CID 115897720
2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 103908379
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
(2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid
CID 104936066
N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036
N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 63732186
N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 105060564

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide (CID 104873303) is N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)N[C@H](C)CN)[nH]1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is AZNNGMWNFKUGJC-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-5(3-8)11-14(12,13)7-4-9-6(2)10-7/h4-5,11H,3,8H2,1-2H3,(H,9,10)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 104873303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).