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

C12H14N2O2S2 — CID 121166355

IUPACN-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cccnc1-c1cccs1
InChIInChI=1S/C12H14N2O2S2/c1-2-18(15,16)14-9-10-5-3-7-13-12(10)11-6-4-8-17-11/h3-8,14H,2,9H2,1H3
InChIKeyWOMMTHXKEGQFHE-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.25
Rot. Bonds5

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

N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide (PubChem CID 121166355) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide
PubChem CID121166355
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC NameN-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cccnc1-c1cccs1
InChIInChI=1S/C12H14N2O2S2/c1-2-18(15,16)14-9-10-5-3-7-13-12(10)11-6-4-8-17-11/h3-8,14H,2,9H2,1H3
InChIKeyWOMMTHXKEGQFHE-UHFFFAOYSA-N
XLogP2.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
CID 91625886
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclopropanesulfonamide
CID 121166356
3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
CID 91625872
2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166387
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide
CID 121166361
2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91625864
(E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide
CID 121166367
1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
CID 91625884
5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166393
N-(quinolin-8-ylmethyl)ethanesulfonamide
CID 47470366
4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166193
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 121166239

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide (CID 121166355) is N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cccnc1-c1cccs1.
What is the InChIKey of N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide?
The InChIKey is WOMMTHXKEGQFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-2-18(15,16)14-9-10-5-3-7-13-12(10)11-6-4-8-17-11/h3-8,14H,2,9H2,1H3.
What are the key properties of N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide?
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide is sourced from PubChem (CID 121166355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).