(2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine

C14H20N2OS — CID 129476221

IUPAC(2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine
SMILESc1cc([C@H]2OCCC[C@@H]2N[C@H]2CCSC2)ccn1
InChIInChI=1S/C14H20N2OS/c1-2-13(16-12-5-9-18-10-12)14(17-8-1)11-3-6-15-7-4-11/h3-4,6-7,12-14,16H,1-2,5,8-10H2/t12-,13-,14+/m0/s1
InChIKeyYZHPMSCRFDPNHF-MELADBBJSA-N
MW264.39 g/mol
LogP2.40
Rot. Bonds3

About (2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine

(2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine (PubChem CID 129476221) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine
PubChem CID129476221
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine
SMILESc1cc([C@H]2OCCC[C@@H]2N[C@H]2CCSC2)ccn1
InChIInChI=1S/C14H20N2OS/c1-2-13(16-12-5-9-18-10-12)14(17-8-1)11-3-6-15-7-4-11/h3-4,6-7,12-14,16H,1-2,5,8-10H2/t12-,13-,14+/m0/s1
InChIKeyYZHPMSCRFDPNHF-MELADBBJSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine?
The IUPAC name of (2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine (CID 129476221) is (2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine.
What is the SMILES notation for (2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine?
The canonical SMILES for (2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine is c1cc([C@H]2OCCC[C@@H]2N[C@H]2CCSC2)ccn1.
What is the InChIKey of (2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine?
The InChIKey is YZHPMSCRFDPNHF-MELADBBJSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-2-13(16-12-5-9-18-10-12)14(17-8-1)11-3-6-15-7-4-11/h3-4,6-7,12-14,16H,1-2,5,8-10H2/t12-,13-,14+/m0/s1.
What are the key properties of (2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine?
(2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine has a molecular weight of 264.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]oxan-3-amine is sourced from PubChem (CID 129476221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).