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

C9H18N4O2S — CID 104873356

IUPACN-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N[C@H](C)CN)nc1C
InChIInChI=1S/C9H18N4O2S/c1-4-13-6-9(11-8(13)3)16(14,15)12-7(2)5-10/h6-7,12H,4-5,10H2,1-3H3/t7-/m1/s1
InChIKeyZNJQFSOTZWBXPX-SSDOTTSWSA-N
MW246.34 g/mol
LogP-0.16
Rot. Bonds5

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

N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 104873356) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID104873356
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N[C@H](C)CN)nc1C
InChIInChI=1S/C9H18N4O2S/c1-4-13-6-9(11-8(13)3)16(14,15)12-7(2)5-10/h6-7,12H,4-5,10H2,1-3H3/t7-/m1/s1
InChIKeyZNJQFSOTZWBXPX-SSDOTTSWSA-N
XLogP-0.16
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 65030909
N-(4-bromobutan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 83179208
N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 114419083
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide
CID 62064468
methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate
CID 62065532
N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64539580
3-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanethioamide
CID 55033194
1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 107848291
1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide
CID 115875712
N-(3-aminocyclobutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62064635

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide (CID 104873356) is N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)N[C@H](C)CN)nc1C.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is ZNJQFSOTZWBXPX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-4-13-6-9(11-8(13)3)16(14,15)12-7(2)5-10/h6-7,12H,4-5,10H2,1-3H3/t7-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide?
N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 104873356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).