N-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine

C14H21N3O2S — CID 110271425

IUPACN-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine
SMILESO=S1(=O)CCC(Nc2cccc(C3CCNCC3)n2)C1
InChIInChI=1S/C14H21N3O2S/c18-20(19)9-6-12(10-20)16-14-3-1-2-13(17-14)11-4-7-15-8-5-11/h1-3,11-12,15H,4-10H2,(H,16,17)
InChIKeyHLPUCVXESWKHAZ-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.15
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine

N-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine (PubChem CID 110271425) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine
PubChem CID110271425
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine
SMILESO=S1(=O)CCC(Nc2cccc(C3CCNCC3)n2)C1
InChIInChI=1S/C14H21N3O2S/c18-20(19)9-6-12(10-20)16-14-3-1-2-13(17-14)11-4-7-15-8-5-11/h1-3,11-12,15H,4-10H2,(H,16,17)
InChIKeyHLPUCVXESWKHAZ-UHFFFAOYSA-N
XLogP1.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 83832274
6-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
CID 63963890
4-N-cyclopentyl-2-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934370
2-N-cyclopentyl-4-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934436
6-N-cyclohexyl-4-N-(1,1-dioxothiolan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112880169
N-(1,1-dioxothiolan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884026
6-piperidin-4-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 95846509
4-N-(1,1-dioxothiolan-3-yl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112895930
2-N-cyclohexyl-4-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934694
4-N-(1,1-dioxothiolan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80932883
4-N-(1,1-dioxothiolan-3-yl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893300
6-N-benzyl-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 112858744

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine (CID 110271425) is N-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine is O=S1(=O)CCC(Nc2cccc(C3CCNCC3)n2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine?
The InChIKey is HLPUCVXESWKHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-20(19)9-6-12(10-20)16-14-3-1-2-13(17-14)11-4-7-15-8-5-11/h1-3,11-12,15H,4-10H2,(H,16,17).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine?
N-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine has a molecular weight of 295.41 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-6-piperidin-4-ylpyridin-2-amine is sourced from PubChem (CID 110271425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).