3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide

C6H14N4O2S — CID 115606290

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNC1=NCCN1
InChIInChI=1S/C6H14N4O2S/c7-13(11,12)5-1-2-8-6-9-3-4-10-6/h1-5H2,(H2,7,11,12)(H2,8,9,10)
InChIKeyKZWGZGHJPJQYBZ-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.79
Rot. Bonds4

About 3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide

3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide (PubChem CID 115606290) has the molecular formula C6H14N4O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide
PubChem CID115606290
Molecular FormulaC6H14N4O2S
Molecular Weight206.27 g/mol
Exact Mass206.08
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNC1=NCCN1
InChIInChI=1S/C6H14N4O2S/c7-13(11,12)5-1-2-8-6-9-3-4-10-6/h1-5H2,(H2,7,11,12)(H2,8,9,10)
InChIKeyKZWGZGHJPJQYBZ-UHFFFAOYSA-N
XLogP-1.79
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
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 3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide (CID 115606290) is 3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide is NS(=O)(=O)CCCNC1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide?
The InChIKey is KZWGZGHJPJQYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2S/c7-13(11,12)5-1-2-8-6-9-3-4-10-6/h1-5H2,(H2,7,11,12)(H2,8,9,10).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide?
3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide has a molecular weight of 206.27 g/mol, XLogP of -1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 115606290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).