N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide

C10H20N4O2S — CID 97225498

IUPACN-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide
SMILESCCCC[C@H](CN)NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C10H20N4O2S/c1-3-4-5-9(6-11)13-17(15,16)10-7-14(2)8-12-10/h7-9,13H,3-6,11H2,1-2H3/t9-/m1/s1
InChIKeyGQDZWLMZJHBHIB-SECBINFHSA-N
MW260.36 g/mol
LogP0.22
Rot. Bonds7

About N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide

N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 97225498) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide
PubChem CID97225498
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide
SMILESCCCC[C@H](CN)NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C10H20N4O2S/c1-3-4-5-9(6-11)13-17(15,16)10-7-14(2)8-12-10/h7-9,13H,3-6,11H2,1-2H3/t9-/m1/s1
InChIKeyGQDZWLMZJHBHIB-SECBINFHSA-N
XLogP0.22
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
CID 119667308
2-[(1-methylimidazol-4-yl)sulfonylamino]pentanethioamide
CID 55068751
N-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide
CID 62374956
1-methyl-N-pentylimidazole-4-sulfonamide
CID 18961136
N-(2-amino-1-phenylethyl)-1-methylimidazole-4-sulfonamide
CID 62374094
N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 62666691
2-[(1-methylimidazol-4-yl)sulfonylamino]butanoic acid
CID 62374949
1-methyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide
CID 115662679
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide
CID 79256266
N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide
CID 106125952
N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide
CID 120712481

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide (CID 97225498) is N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide is CCCC[C@H](CN)NS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide?
The InChIKey is GQDZWLMZJHBHIB-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-3-4-5-9(6-11)13-17(15,16)10-7-14(2)8-12-10/h7-9,13H,3-6,11H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide?
N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 97225498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).