2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide

C10H12N4O2S2 — CID 106088650

IUPAC2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C10H12N4O2S2/c1-11-6-9-10(2-3-17-9)18(15,16)14-8-4-12-7-13-5-8/h2-5,7,11,14H,6H2,1H3
InChIKeyPMKFYYJENJIXFA-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.06
Rot. Bonds5

About 2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide

2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide (PubChem CID 106088650) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
PubChem CID106088650
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C10H12N4O2S2/c1-11-6-9-10(2-3-17-9)18(15,16)14-8-4-12-7-13-5-8/h2-5,7,11,14H,6H2,1H3
InChIKeyPMKFYYJENJIXFA-UHFFFAOYSA-N
XLogP1.06
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088593
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059497
N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107215762
N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107429534
2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
CID 114142231
N-(5-bromo-6-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070384
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076794
2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
CID 106092583
N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085927
N-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067026
2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
CID 114174631

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide (CID 106088650) is 2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)Nc1cncnc1.
What is the InChIKey of 2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide?
The InChIKey is PMKFYYJENJIXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c1-11-6-9-10(2-3-17-9)18(15,16)14-8-4-12-7-13-5-8/h2-5,7,11,14H,6H2,1H3.
What are the key properties of 2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide?
2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide has a molecular weight of 284.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide is sourced from PubChem (CID 106088650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).