3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine

C14H23N3O2S — CID 114598779

IUPAC3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine
SMILESCCCN1CCC(Nc2ncccc2S(C)(=O)=O)CC1
InChIInChI=1S/C14H23N3O2S/c1-3-9-17-10-6-12(7-11-17)16-14-13(20(2,18)19)5-4-8-15-14/h4-5,8,12H,3,6-7,9-11H2,1-2H3,(H,15,16)
InChIKeyNPYALFMWMCBLMZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.77
Rot. Bonds5

About 3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine

3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine (PubChem CID 114598779) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine
PubChem CID114598779
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine
SMILESCCCN1CCC(Nc2ncccc2S(C)(=O)=O)CC1
InChIInChI=1S/C14H23N3O2S/c1-3-9-17-10-6-12(7-11-17)16-14-13(20(2,18)19)5-4-8-15-14/h4-5,8,12H,3,6-7,9-11H2,1-2H3,(H,15,16)
InChIKeyNPYALFMWMCBLMZ-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

N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine
CID 106545829
3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 115923056
2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide
CID 106594162
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine
CID 79041986
N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine
CID 114598944
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
CID 114598691
N-(4-methylsulfonylphenyl)-1-propylazepan-4-amine
CID 65072534
N-ethyl-3-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62148584
N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine
CID 106544504
2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
CID 133453551
1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione
CID 114598952

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine (CID 114598779) is 3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine is CCCN1CCC(Nc2ncccc2S(C)(=O)=O)CC1.
What is the InChIKey of 3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is NPYALFMWMCBLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-9-17-10-6-12(7-11-17)16-14-13(20(2,18)19)5-4-8-15-14/h4-5,8,12H,3,6-7,9-11H2,1-2H3,(H,15,16).
What are the key properties of 3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine?
3-methylsulfonyl-N-(1-propylpiperidin-4-yl)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-(1-propylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 114598779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).