N-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide

C9H16N4O2S — CID 71790166

IUPACN-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cnc(N(C)C)nc1
InChIInChI=1S/C9H16N4O2S/c1-4-5-16(14,15)12-8-6-10-9(11-7-8)13(2)3/h6-7,12H,4-5H2,1-3H3
InChIKeyIIGFYBBGAMBNOH-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.69
Rot. Bonds5

About N-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide

N-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide (PubChem CID 71790166) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide
PubChem CID71790166
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cnc(N(C)C)nc1
InChIInChI=1S/C9H16N4O2S/c1-4-5-16(14,15)12-8-6-10-9(11-7-8)13(2)3/h6-7,12H,4-5H2,1-3H3
InChIKeyIIGFYBBGAMBNOH-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide (CID 71790166) is N-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cnc(N(C)C)nc1.
What is the InChIKey of N-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide?
The InChIKey is IIGFYBBGAMBNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-4-5-16(14,15)12-8-6-10-9(11-7-8)13(2)3/h6-7,12H,4-5H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide?
N-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)pyrimidin-5-yl]propane-1-sulfonamide is sourced from PubChem (CID 71790166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).