N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide

C12H22N4O4S — CID 106089579

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C12H22N4O4S/c1-4-13-7-5-6-8-21(17,18)16-12-14-10(19-2)9-11(15-12)20-3/h9,13H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyWNOIYFSTBHTNBT-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.63
Rot. Bonds10

About N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide

N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide (PubChem CID 106089579) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide
PubChem CID106089579
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C12H22N4O4S/c1-4-13-7-5-6-8-21(17,18)16-12-14-10(19-2)9-11(15-12)20-3/h9,13H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyWNOIYFSTBHTNBT-UHFFFAOYSA-N
XLogP0.63
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106058751
4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide
CID 107602665
N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(methylamino)propane-1-sulfonamide
CID 106089355
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107652681
4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069514
methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate
CID 107605578
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614
4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide
CID 106000823
4-(ethylamino)-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 106002477
4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide
CID 106057705
N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106047695
N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106076725

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide (CID 106089579) is N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide is CCNCCCCS(=O)(=O)Nc1nc(OC)cc(OC)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide?
The InChIKey is WNOIYFSTBHTNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S/c1-4-13-7-5-6-8-21(17,18)16-12-14-10(19-2)9-11(15-12)20-3/h9,13H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide?
N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 0.63, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide is sourced from PubChem (CID 106089579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).