N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide

C9H16N4O2S — CID 73168021

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C9H16N4O2S/c1-4-16(14,15)11-7-8-10-6-5-9(12-8)13(2)3/h5-6,11H,4,7H2,1-3H3
InChIKeyZCQUSLJFOVOASM-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.02
Rot. Bonds5

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide (PubChem CID 73168021) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide
PubChem CID73168021
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C9H16N4O2S/c1-4-16(14,15)11-7-8-10-6-5-9(12-8)13(2)3/h5-6,11H,4,7H2,1-3H3
InChIKeyZCQUSLJFOVOASM-UHFFFAOYSA-N
XLogP-0.02
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide (CID 73168021) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1nccc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide?
The InChIKey is ZCQUSLJFOVOASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-4-16(14,15)11-7-8-10-6-5-9(12-8)13(2)3/h5-6,11H,4,7H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 73168021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).