N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide

C10H20N4O2S — CID 84598067

IUPACN-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCNCCCNS(=O)(=O)c1cn(C(C)C)cn1
InChIInChI=1S/C10H20N4O2S/c1-9(2)14-7-10(12-8-14)17(15,16)13-6-4-5-11-3/h7-9,11,13H,4-6H2,1-3H3
InChIKeyQABHJOKPXNSVNN-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.35
Rot. Bonds7

About N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide

N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 84598067) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID84598067
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCNCCCNS(=O)(=O)c1cn(C(C)C)cn1
InChIInChI=1S/C10H20N4O2S/c1-9(2)14-7-10(12-8-14)17(15,16)13-6-4-5-11-3/h7-9,11,13H,4-6H2,1-3H3
InChIKeyQABHJOKPXNSVNN-UHFFFAOYSA-N
XLogP0.35
TPSA76.02 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 ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 84598067) is N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide is CNCCCNS(=O)(=O)c1cn(C(C)C)cn1.
What is the InChIKey of N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is QABHJOKPXNSVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-9(2)14-7-10(12-8-14)17(15,16)13-6-4-5-11-3/h7-9,11,13H,4-6H2,1-3H3.
What are the key properties of N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 84598067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).