N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide

C16H16N4O2S2 — CID 3233788

IUPACN-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc(NCc3cccs3)ncn2)c1
InChIInChI=1S/C16H16N4O2S2/c1-24(21,22)20-13-5-2-4-12(8-13)15-9-16(19-11-18-15)17-10-14-6-3-7-23-14/h2-9,11,20H,10H2,1H3,(H,17,18,19)
InChIKeyIMUMMPXZJVKSJZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.19
Rot. Bonds6

About N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide

N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide (PubChem CID 3233788) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide
PubChem CID3233788
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC NameN-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc(NCc3cccs3)ncn2)c1
InChIInChI=1S/C16H16N4O2S2/c1-24(21,22)20-13-5-2-4-12(8-13)15-9-16(19-11-18-15)17-10-14-6-3-7-23-14/h2-9,11,20H,10H2,1H3,(H,17,18,19)
InChIKeyIMUMMPXZJVKSJZ-UHFFFAOYSA-N
XLogP3.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide (CID 3233788) is N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cc(NCc3cccs3)ncn2)c1.
What is the InChIKey of N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide?
The InChIKey is IMUMMPXZJVKSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-24(21,22)20-13-5-2-4-12(8-13)15-9-16(19-11-18-15)17-10-14-6-3-7-23-14/h2-9,11,20H,10H2,1H3,(H,17,18,19).
What are the key properties of N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide?
N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide has a molecular weight of 360.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3233788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).