5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile

C12H11N3O2S2 — CID 104624407

IUPAC5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile
SMILESCS(=O)(=O)c1ccc(NCc2ccc(C#N)s2)cn1
InChIInChI=1S/C12H11N3O2S2/c1-19(16,17)12-5-2-9(7-15-12)14-8-11-4-3-10(6-13)18-11/h2-5,7,14H,8H2,1H3
InChIKeyHNSGANKJVJYKJF-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.03
Rot. Bonds4

About 5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile

5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile (PubChem CID 104624407) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile
PubChem CID104624407
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Name5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile
SMILESCS(=O)(=O)c1ccc(NCc2ccc(C#N)s2)cn1
InChIInChI=1S/C12H11N3O2S2/c1-19(16,17)12-5-2-9(7-15-12)14-8-11-4-3-10(6-13)18-11/h2-5,7,14H,8H2,1H3
InChIKeyHNSGANKJVJYKJF-UHFFFAOYSA-N
XLogP2.03
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 55062602
5-[[(6-chloro-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile
CID 115975883
2-[5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82886723
4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile
CID 43675232
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 63120598
5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile
CID 115748695
N-[3-[(5-cyanothiophen-2-yl)methylamino]phenyl]methanesulfonamide
CID 115743740
5-[(4-methoxyanilino)methyl]thiophene-2-carbonitrile
CID 113250062
6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine
CID 133374020
N-[(3,5-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 60788811
5-[(3-ethoxyanilino)methyl]thiophene-2-carbonitrile
CID 115743071
N-methyl-6-methylsulfonylpyridin-3-amine
CID 63091077

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile (CID 104624407) is 5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile is CS(=O)(=O)c1ccc(NCc2ccc(C#N)s2)cn1.
What is the InChIKey of 5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile?
The InChIKey is HNSGANKJVJYKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c1-19(16,17)12-5-2-9(7-15-12)14-8-11-4-3-10(6-13)18-11/h2-5,7,14H,8H2,1H3.
What are the key properties of 5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile?
5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 104624407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).