4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine

C12H20N2O2S — CID 62113145

IUPAC4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine
SMILESCC(C)CCOCCS(=O)c1ccncc1N
InChIInChI=1S/C12H20N2O2S/c1-10(2)4-6-16-7-8-17(15)12-3-5-14-9-11(12)13/h3,5,9-10H,4,6-8,13H2,1-2H3
InChIKeyQPSFXDQQFXJTHE-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.83
Rot. Bonds7

About 4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine

4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine (PubChem CID 62113145) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine
PubChem CID62113145
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine
SMILESCC(C)CCOCCS(=O)c1ccncc1N
InChIInChI=1S/C12H20N2O2S/c1-10(2)4-6-16-7-8-17(15)12-3-5-14-9-11(12)13/h3,5,9-10H,4,6-8,13H2,1-2H3
InChIKeyQPSFXDQQFXJTHE-UHFFFAOYSA-N
XLogP1.83
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(3-methylbutoxy)ethylsulfinyl]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

4-(2-propoxyethylsulfinyl)pyridin-3-amine
CID 106455875
5-chloro-2-[2-(3-methylbutoxy)ethylsulfinyl]aniline
CID 81175813
4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine
CID 54956565
2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide
CID 62113814
4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine
CID 62112145
2-(4-methylpentylsulfinyl)aniline
CID 83161086
4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine
CID 62113991
4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine
CID 62111987
2-[(3-amino-4-pyridinyl)sulfinyl]butanenitrile
CID 62113146
4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine
CID 102878475
4-[(2-methyltetrazol-5-yl)methylsulfinyl]pyridin-3-amine
CID 107052262
4-(3-methylbutylsulfanyl)pyridin-3-amine
CID 43300026

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine?
The IUPAC name of 4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine (CID 62113145) is 4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine.
What is the SMILES notation for 4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine?
The canonical SMILES for 4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine is CC(C)CCOCCS(=O)c1ccncc1N.
What is the InChIKey of 4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine?
The InChIKey is QPSFXDQQFXJTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-10(2)4-6-16-7-8-17(15)12-3-5-14-9-11(12)13/h3,5,9-10H,4,6-8,13H2,1-2H3.
What are the key properties of 4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine?
4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine has a molecular weight of 256.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine is sourced from PubChem (CID 62113145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).