N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide

C11H12N2O2S2 — CID 121177877

IUPACN-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C11H12N2O2S2/c1-17(14,15)13-7-9-3-2-5-12-11(9)10-4-6-16-8-10/h2-6,8,13H,7H2,1H3
InChIKeyVQIKMCZMXXJHAL-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.86
Rot. Bonds4

About N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide

N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide (PubChem CID 121177877) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
PubChem CID121177877
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC NameN-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C11H12N2O2S2/c1-17(14,15)13-7-9-3-2-5-12-11(9)10-4-6-16-8-10/h2-6,8,13H,7H2,1H3
InChIKeyVQIKMCZMXXJHAL-UHFFFAOYSA-N
XLogP1.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide?
The IUPAC name of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide (CID 121177877) is N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide is CS(=O)(=O)NCc1cccnc1-c1ccsc1.
What is the InChIKey of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide?
The InChIKey is VQIKMCZMXXJHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-17(14,15)13-7-9-3-2-5-12-11(9)10-4-6-16-8-10/h2-6,8,13H,7H2,1H3.
What are the key properties of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide?
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide has a molecular weight of 268.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide is sourced from PubChem (CID 121177877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).