N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine

C14H25N3O2S — CID 81247335

IUPACN,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCc1cc(N(C)CCS(C)(=O)=O)c(CNC(C)C)cn1
InChIInChI=1S/C14H25N3O2S/c1-11(2)15-9-13-10-16-12(3)8-14(13)17(4)6-7-20(5,18)19/h8,10-11,15H,6-7,9H2,1-5H3
InChIKeyLINFHIWTFHEYQA-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.37
Rot. Bonds7

About N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine

N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 81247335) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID81247335
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCc1cc(N(C)CCS(C)(=O)=O)c(CNC(C)C)cn1
InChIInChI=1S/C14H25N3O2S/c1-11(2)15-9-13-10-16-12(3)8-14(13)17(4)6-7-20(5,18)19/h8,10-11,15H,6-7,9H2,1-5H3
InChIKeyLINFHIWTFHEYQA-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,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 81247335) is N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine is Cc1cc(N(C)CCS(C)(=O)=O)c(CNC(C)C)cn1.
What is the InChIKey of N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is LINFHIWTFHEYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11(2)15-9-13-10-16-12(3)8-14(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,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
N,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-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,2-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 81247335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).