5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide

C12H16N4O3S — CID 106088778

IUPAC5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)Nc2cncnc2)o1
InChIInChI=1S/C12H16N4O3S/c1-2-5-13-8-11-3-4-12(19-11)20(17,18)16-10-6-14-9-15-7-10/h3-4,6-7,9,13,16H,2,5,8H2,1H3
InChIKeyIKUXAXUBNRBLNN-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.37
Rot. Bonds7

About 5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide

5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide (PubChem CID 106088778) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide
PubChem CID106088778
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)Nc2cncnc2)o1
InChIInChI=1S/C12H16N4O3S/c1-2-5-13-8-11-3-4-12(19-11)20(17,18)16-10-6-14-9-15-7-10/h3-4,6-7,9,13,16H,2,5,8H2,1H3
InChIKeyIKUXAXUBNRBLNN-UHFFFAOYSA-N
XLogP1.37
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide
CID 106088603
2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088593
N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 113465229
N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 106410031
2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide
CID 106033085
5-(ethylaminomethyl)-N-(3-iodophenyl)furan-2-sulfonamide
CID 106029546
5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)furan-2-sulfonamide
CID 106086991
N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106058597
N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106070960
N-(3-bromo-4-fluorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106078334
5-(ethylaminomethyl)-N-pyridin-2-ylfuran-2-sulfonamide
CID 106082609
2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide
CID 107589827

Frequently Asked Questions

What is the IUPAC name of 5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide?
The IUPAC name of 5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide (CID 106088778) is 5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide.
What is the SMILES notation for 5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide?
The canonical SMILES for 5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide is CCCNCc1ccc(S(=O)(=O)Nc2cncnc2)o1.
What is the InChIKey of 5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide?
The InChIKey is IKUXAXUBNRBLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-5-13-8-11-3-4-12(19-11)20(17,18)16-10-6-14-9-15-7-10/h3-4,6-7,9,13,16H,2,5,8H2,1H3.
What are the key properties of 5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide?
5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide is sourced from PubChem (CID 106088778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).