N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide

C13H22N4O2S — CID 62148862

IUPACN-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)C2CCCCC2)cn1
InChIInChI=1S/C13H22N4O2S/c1-3-14-13-15-9-12(10-16-13)20(18,19)17(2)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyQEBIRNAHQVSGRR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.86
Rot. Bonds5

About N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide

N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide (PubChem CID 62148862) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide
PubChem CID62148862
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)C2CCCCC2)cn1
InChIInChI=1S/C13H22N4O2S/c1-3-14-13-15-9-12(10-16-13)20(18,19)17(2)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyQEBIRNAHQVSGRR-UHFFFAOYSA-N
XLogP1.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide?
The IUPAC name of N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide (CID 62148862) is N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide?
The canonical SMILES for N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)N(C)C2CCCCC2)cn1.
What is the InChIKey of N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide?
The InChIKey is QEBIRNAHQVSGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-14-13-15-9-12(10-16-13)20(18,19)17(2)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide?
N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide is sourced from PubChem (CID 62148862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).