(3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine

C15H23N3O2S — CID 97213833

IUPAC(3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine
SMILESO=S1(=O)C[C@H](NCc2cccnc2)[C@H](N2CCCCC2)C1
InChIInChI=1S/C15H23N3O2S/c19-21(20)11-14(17-10-13-5-4-6-16-9-13)15(12-21)18-7-2-1-3-8-18/h4-6,9,14-15,17H,1-3,7-8,10-12H2/t14-,15+/m0/s1
InChIKeyPMZZPORAZFMCFH-LSDHHAIUSA-N
MW309.43 g/mol
LogP0.82
Rot. Bonds4

About (3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine

(3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine (PubChem CID 97213833) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is (3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine
PubChem CID97213833
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name(3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine
SMILESO=S1(=O)C[C@H](NCc2cccnc2)[C@H](N2CCCCC2)C1
InChIInChI=1S/C15H23N3O2S/c19-21(20)11-14(17-10-13-5-4-6-16-9-13)15(12-21)18-7-2-1-3-8-18/h4-6,9,14-15,17H,1-3,7-8,10-12H2/t14-,15+/m0/s1
InChIKeyPMZZPORAZFMCFH-LSDHHAIUSA-N
XLogP0.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine with MolForge

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Related Compounds

N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752244
(3R,4S)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
CID 95305294
(E)-N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 56520558
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide
CID 95327047
2-(azepan-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506694
N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728477
(3S,4R)-4-(2-fluoro-5-methylphenyl)sulfonyl-1,1-dioxo-N-(pyridin-3-ylmethyl)thiolan-3-amine
CID 39774954
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
CID 55114369
(4aR,7aS)-4-(pyridin-3-ylmethyl)-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide
CID 124779706
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine?
The IUPAC name of (3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine (CID 97213833) is (3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine.
What is the SMILES notation for (3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine?
The canonical SMILES for (3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine is O=S1(=O)C[C@H](NCc2cccnc2)[C@H](N2CCCCC2)C1.
What is the InChIKey of (3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine?
The InChIKey is PMZZPORAZFMCFH-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H23N3O2S/c19-21(20)11-14(17-10-13-5-4-6-16-9-13)15(12-21)18-7-2-1-3-8-18/h4-6,9,14-15,17H,1-3,7-8,10-12H2/t14-,15+/m0/s1.
What are the key properties of (3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine?
(3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine has a molecular weight of 309.43 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 97213833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).