N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide

C13H20N4O2S — CID 63684841

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCC2CC3CCC2C3)cn1
InChIInChI=1S/C13H20N4O2S/c1-14-13-15-7-12(8-16-13)20(18,19)17-6-11-5-9-2-3-10(11)4-9/h7-11,17H,2-6H2,1H3,(H,14,15,16)
InChIKeyDGYGNRGBDCGHFO-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.23
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 63684841) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID63684841
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCC2CC3CCC2C3)cn1
InChIInChI=1S/C13H20N4O2S/c1-14-13-15-7-12(8-16-13)20(18,19)17-6-11-5-9-2-3-10(11)4-9/h7-11,17H,2-6H2,1H3,(H,14,15,16)
InChIKeyDGYGNRGBDCGHFO-UHFFFAOYSA-N
XLogP1.23
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide (CID 63684841) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)NCC2CC3CCC2C3)cn1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is DGYGNRGBDCGHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-14-13-15-7-12(8-16-13)20(18,19)17-6-11-5-9-2-3-10(11)4-9/h7-11,17H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 296.40 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 63684841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).