3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine

C14H23N3O2S — CID 114598706

IUPAC3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
SMILESCC(CNc1ncccc1S(C)(=O)=O)N1CCCCC1
InChIInChI=1S/C14H23N3O2S/c1-12(17-9-4-3-5-10-17)11-16-14-13(20(2,18)19)7-6-8-15-14/h6-8,12H,3-5,9-11H2,1-2H3,(H,15,16)
InChIKeyKFFVRFIPKINCNN-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.77
Rot. Bonds5

About 3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine

3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine (PubChem CID 114598706) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
PubChem CID114598706
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
SMILESCC(CNc1ncccc1S(C)(=O)=O)N1CCCCC1
InChIInChI=1S/C14H23N3O2S/c1-12(17-9-4-3-5-10-17)11-16-14-13(20(2,18)19)7-6-8-15-14/h6-8,12H,3-5,9-11H2,1-2H3,(H,15,16)
InChIKeyKFFVRFIPKINCNN-UHFFFAOYSA-N
XLogP1.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 55111712
3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899365
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
N-(2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 61017565
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 114598664
3-amino-N-(2-piperidin-1-ylpropyl)pyridine-2-sulfonamide
CID 103305481
2-hydroxy-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114153459
[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 114599025
1-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 106127854
1-(3-methylsulfonyl-2-pyridinyl)azepane
CID 133498194
4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80814271
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
CID 114598691

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine (CID 114598706) is 3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine is CC(CNc1ncccc1S(C)(=O)=O)N1CCCCC1.
What is the InChIKey of 3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The InChIKey is KFFVRFIPKINCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-12(17-9-4-3-5-10-17)11-16-14-13(20(2,18)19)7-6-8-15-14/h6-8,12H,3-5,9-11H2,1-2H3,(H,15,16).
What are the key properties of 3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine has a molecular weight of 297.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 114598706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).