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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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).