1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide

C11H20N4O2S — CID 106092643

IUPAC1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NCc1ccncn1
InChIInChI=1S/C11H20N4O2S/c1-3-5-12-7-10(2)18(16,17)15-8-11-4-6-13-9-14-11/h4,6,9-10,12,15H,3,5,7-8H2,1-2H3
InChIKeyILPVDZYXFJYDDT-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.28
Rot. Bonds8

About 1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide

1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide (PubChem CID 106092643) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide
PubChem CID106092643
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NCc1ccncn1
InChIInChI=1S/C11H20N4O2S/c1-3-5-12-7-10(2)18(16,17)15-8-11-4-6-13-9-14-11/h4,6,9-10,12,15H,3,5,7-8H2,1-2H3
InChIKeyILPVDZYXFJYDDT-UHFFFAOYSA-N
XLogP0.28
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.28
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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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106083583
N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106062082
N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide
CID 62760578
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
CID 106085796
1-methoxy-N-propyl-3-pyrimidin-4-ylpropan-2-amine
CID 63197559
1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide
CID 114168215
5-[(propan-2-ylamino)methyl]-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
CID 106092523
ethyl 2-(pyrimidin-4-ylmethylamino)propanoate
CID 62749095
N-(4-ethylphenyl)-1-(propylamino)propane-2-sulfonamide
CID 107278431
2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
CID 106092583
N-(1-methylpyrazol-3-yl)-1-(propylamino)propane-2-sulfonamide
CID 114135430
1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide
CID 114141265

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide?
The IUPAC name of 1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide (CID 106092643) is 1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for 1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide is CCCNCC(C)S(=O)(=O)NCc1ccncn1.
What is the InChIKey of 1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide?
The InChIKey is ILPVDZYXFJYDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-5-12-7-10(2)18(16,17)15-8-11-4-6-13-9-14-11/h4,6,9-10,12,15H,3,5,7-8H2,1-2H3.
What are the key properties of 1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide?
1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 106092643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).