6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine

C14H19N3O2S — CID 62473129

IUPAC6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
SMILESCc1cc(CNc2ccc(S(C)(=O)=O)nc2)c(C)n1C
InChIInChI=1S/C14H19N3O2S/c1-10-7-12(11(2)17(10)3)8-15-13-5-6-14(16-9-13)20(4,18)19/h5-7,9,15H,8H2,1-4H3
InChIKeyKYNHVTBSNDNTKC-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.05
Rot. Bonds4

About 6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine

6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine (PubChem CID 62473129) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
PubChem CID62473129
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
SMILESCc1cc(CNc2ccc(S(C)(=O)=O)nc2)c(C)n1C
InChIInChI=1S/C14H19N3O2S/c1-10-7-12(11(2)17(10)3)8-15-13-5-6-14(16-9-13)20(4,18)19/h5-7,9,15H,8H2,1-4H3
InChIKeyKYNHVTBSNDNTKC-UHFFFAOYSA-N
XLogP2.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine (CID 62473129) is 6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine is Cc1cc(CNc2ccc(S(C)(=O)=O)nc2)c(C)n1C.
What is the InChIKey of 6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine?
The InChIKey is KYNHVTBSNDNTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-7-12(11(2)17(10)3)8-15-13-5-6-14(16-9-13)20(4,18)19/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine?
6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine has a molecular weight of 293.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 62473129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).