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

C9H10N4O2S2 — CID 43155722

IUPAC5-(aminomethyl)-N-pyrimidin-2-ylthiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ncccn2)s1
InChIInChI=1S/C9H10N4O2S2/c10-6-7-2-3-8(16-7)17(14,15)13-9-11-4-1-5-12-9/h1-5H,6,10H2,(H,11,12,13)
InChIKeyWRQQQLBGKCSPDH-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.80
Rot. Bonds4

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

5-(aminomethyl)-N-pyrimidin-2-ylthiophene-2-sulfonamide (PubChem CID 43155722) has the molecular formula C9H10N4O2S2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-(aminomethyl)-N-pyrimidin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-pyrimidin-2-ylthiophene-2-sulfonamide
PubChem CID43155722
Molecular FormulaC9H10N4O2S2
Molecular Weight270.34 g/mol
Exact Mass270.02
IUPAC Name5-(aminomethyl)-N-pyrimidin-2-ylthiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ncccn2)s1
InChIInChI=1S/C9H10N4O2S2/c10-6-7-2-3-8(16-7)17(14,15)13-9-11-4-1-5-12-9/h1-5H,6,10H2,(H,11,12,13)
InChIKeyWRQQQLBGKCSPDH-UHFFFAOYSA-N
XLogP0.80
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-pyrimidin-2-ylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-pyrimidin-2-ylthiophene-2-sulfonamide (CID 43155722) is 5-(aminomethyl)-N-pyrimidin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-pyrimidin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-pyrimidin-2-ylthiophene-2-sulfonamide is NCc1ccc(S(=O)(=O)Nc2ncccn2)s1.
What is the InChIKey of 5-(aminomethyl)-N-pyrimidin-2-ylthiophene-2-sulfonamide?
The InChIKey is WRQQQLBGKCSPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S2/c10-6-7-2-3-8(16-7)17(14,15)13-9-11-4-1-5-12-9/h1-5H,6,10H2,(H,11,12,13).
What are the key properties of 5-(aminomethyl)-N-pyrimidin-2-ylthiophene-2-sulfonamide?
5-(aminomethyl)-N-pyrimidin-2-ylthiophene-2-sulfonamide has a molecular weight of 270.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-pyrimidin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 43155722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).