6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine

C12H18N2OS — CID 65160816

IUPAC6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCCCC2CCCO2)nc1
InChIInChI=1S/C12H18N2OS/c13-10-5-6-12(14-9-10)16-8-2-4-11-3-1-7-15-11/h5-6,9,11H,1-4,7-8,13H2
InChIKeyKSTJWNQNGQABEE-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.72
Rot. Bonds5

About 6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine

6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine (PubChem CID 65160816) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine
PubChem CID65160816
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCCCC2CCCO2)nc1
InChIInChI=1S/C12H18N2OS/c13-10-5-6-12(14-9-10)16-8-2-4-11-3-1-7-15-11/h5-6,9,11H,1-4,7-8,13H2
InChIKeyKSTJWNQNGQABEE-UHFFFAOYSA-N
XLogP2.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-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

Related Compounds

6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 43301504
3-chloro-4-[3-(oxolan-2-yl)propylsulfanyl]aniline
CID 65161030
3-[3-(oxolan-2-yl)propylsulfanyl]aniline
CID 79133970
1-(5-amino-2-pyridinyl)-3-(oxolan-2-yl)propan-1-one
CID 116605212
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine
CID 43301045
6-octylsulfanylpyridin-3-amine
CID 43301414
2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
5-[(5-amino-2-pyridinyl)sulfanyl]pentanenitrile
CID 43300899
4-[4-(oxolan-2-yl)butyl]pyridin-2-amine
CID 65165457
3-fluoro-4-[2-(oxolan-2-yl)ethylsulfanyl]aniline
CID 65160977
4-(oxolan-2-ylmethylsulfanyl)aniline
CID 43299447

Frequently Asked Questions

What is the IUPAC name of 6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine (CID 65160816) is 6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine is Nc1ccc(SCCCC2CCCO2)nc1.
What is the InChIKey of 6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine?
The InChIKey is KSTJWNQNGQABEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-10-5-6-12(14-9-10)16-8-2-4-11-3-1-7-15-11/h5-6,9,11H,1-4,7-8,13H2.
What are the key properties of 6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine?
6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine has a molecular weight of 238.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 65160816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).