6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine

C14H23N3O2S — CID 86773989

IUPAC6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCc1cccc(NCC2CCN(CCS(C)(=O)=O)C2)n1
InChIInChI=1S/C14H23N3O2S/c1-12-4-3-5-14(16-12)15-10-13-6-7-17(11-13)8-9-20(2,18)19/h3-5,13H,6-11H2,1-2H3,(H,15,16)
InChIKeyPKOLPDFDTNTVDV-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.17
Rot. Bonds6

About 6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine

6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 86773989) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID86773989
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCc1cccc(NCC2CCN(CCS(C)(=O)=O)C2)n1
InChIInChI=1S/C14H23N3O2S/c1-12-4-3-5-14(16-12)15-10-13-6-7-17(11-13)8-9-20(2,18)19/h3-5,13H,6-11H2,1-2H3,(H,15,16)
InChIKeyPKOLPDFDTNTVDV-UHFFFAOYSA-N
XLogP1.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 86773989) is 6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine is Cc1cccc(NCC2CCN(CCS(C)(=O)=O)C2)n1.
What is the InChIKey of 6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is PKOLPDFDTNTVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-12-4-3-5-14(16-12)15-10-13-6-7-17(11-13)8-9-20(2,18)19/h3-5,13H,6-11H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 297.42 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 86773989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).