5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide

C10H12N4O2S2 — CID 106088723

IUPAC5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C10H12N4O2S2/c1-7-10(2-9(3-11)17-7)18(15,16)14-8-4-12-6-13-5-8/h2,4-6,14H,3,11H2,1H3
InChIKeyASGYCJKRSGGLGB-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.11
Rot. Bonds4

About 5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide

5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide (PubChem CID 106088723) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
PubChem CID106088723
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C10H12N4O2S2/c1-7-10(2-9(3-11)17-7)18(15,16)14-8-4-12-6-13-5-8/h2,4-6,14H,3,11H2,1H3
InChIKeyASGYCJKRSGGLGB-UHFFFAOYSA-N
XLogP1.11
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 104856695
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086961
5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide
CID 106026493
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide
CID 106059579
5-(aminomethyl)-4-methyl-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088719
2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 106087977
5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106061940
5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide
CID 106007333
5-(aminomethyl)-N-(2,4-dichlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106057468
5-(aminomethyl)-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide
CID 106053168
5-(aminomethyl)-N-(4-bromo-2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106058485
5-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106088832

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide (CID 106088723) is 5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide is Cc1sc(CN)cc1S(=O)(=O)Nc1cncnc1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide?
The InChIKey is ASGYCJKRSGGLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c1-7-10(2-9(3-11)17-7)18(15,16)14-8-4-12-6-13-5-8/h2,4-6,14H,3,11H2,1H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide?
5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide has a molecular weight of 284.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide is sourced from PubChem (CID 106088723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).