3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide

C10H18N4O2S — CID 66140791

IUPAC3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNCc1cncn1C1CC1
InChIInChI=1S/C10H18N4O2S/c11-17(15,16)5-1-4-12-6-10-7-13-8-14(10)9-2-3-9/h7-9,12H,1-6H2,(H2,11,15,16)
InChIKeyXDDWBQDQQRBMHD-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.01
Rot. Bonds7

About 3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide

3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide (PubChem CID 66140791) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide
PubChem CID66140791
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNCc1cncn1C1CC1
InChIInChI=1S/C10H18N4O2S/c11-17(15,16)5-1-4-12-6-10-7-13-8-14(10)9-2-3-9/h7-9,12H,1-6H2,(H2,11,15,16)
InChIKeyXDDWBQDQQRBMHD-UHFFFAOYSA-N
XLogP-0.01
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.01
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 3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide?
The IUPAC name of 3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide (CID 66140791) is 3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide?
The canonical SMILES for 3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide is NS(=O)(=O)CCCNCc1cncn1C1CC1.
What is the InChIKey of 3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide?
The InChIKey is XDDWBQDQQRBMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c11-17(15,16)5-1-4-12-6-10-7-13-8-14(10)9-2-3-9/h7-9,12H,1-6H2,(H2,11,15,16).
What are the key properties of 3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide?
3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide is sourced from PubChem (CID 66140791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).