N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C14H25N3O2S — CID 80635331

IUPACN,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCc1cc(CNC(C)C)cnc1N(C)CCS(C)(=O)=O
InChIInChI=1S/C14H25N3O2S/c1-11(2)15-9-13-8-12(3)14(16-10-13)17(4)6-7-20(5,18)19/h8,10-11,15H,6-7,9H2,1-5H3
InChIKeyJHYLTUWOJDCATK-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.37
Rot. Bonds7

About N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine

N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 80635331) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID80635331
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCc1cc(CNC(C)C)cnc1N(C)CCS(C)(=O)=O
InChIInChI=1S/C14H25N3O2S/c1-11(2)15-9-13-8-12(3)14(16-10-13)17(4)6-7-20(5,18)19/h8,10-11,15H,6-7,9H2,1-5H3
InChIKeyJHYLTUWOJDCATK-UHFFFAOYSA-N
XLogP1.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 80635331) is N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine is Cc1cc(CNC(C)C)cnc1N(C)CCS(C)(=O)=O.
What is the InChIKey of N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is JHYLTUWOJDCATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11(2)15-9-13-8-12(3)14(16-10-13)17(4)6-7-20(5,18)19/h8,10-11,15H,6-7,9H2,1-5H3.
What are the key properties of N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 299.44 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 80635331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).