6-methoxy-N-(thian-3-yl)pyridin-3-amine

C11H16N2OS — CID 62873047

IUPAC6-methoxy-N-(thian-3-yl)pyridin-3-amine
SMILESCOc1ccc(NC2CCCSC2)cn1
InChIInChI=1S/C11H16N2OS/c1-14-11-5-4-9(7-12-11)13-10-3-2-6-15-8-10/h4-5,7,10,13H,2-3,6,8H2,1H3
InChIKeyTWFKFGFPKCQCAT-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.40
Rot. Bonds3

About 6-methoxy-N-(thian-3-yl)pyridin-3-amine

6-methoxy-N-(thian-3-yl)pyridin-3-amine (PubChem CID 62873047) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 6-methoxy-N-(thian-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-(thian-3-yl)pyridin-3-amine
PubChem CID62873047
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name6-methoxy-N-(thian-3-yl)pyridin-3-amine
SMILESCOc1ccc(NC2CCCSC2)cn1
InChIInChI=1S/C11H16N2OS/c1-14-11-5-4-9(7-12-11)13-10-3-2-6-15-8-10/h4-5,7,10,13H,2-3,6,8H2,1H3
InChIKeyTWFKFGFPKCQCAT-UHFFFAOYSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(5-methylthiolan-3-yl)pyridin-3-amine
CID 79941406
4-(thian-3-ylamino)phenol
CID 62873090
6-methoxy-N-(4-propylcycloheptyl)pyridin-3-amine
CID 65087510
(3R)-N-(3,4-dimethylphenyl)thian-3-amine
CID 94885650
6-(2-methoxyethoxy)-N-(thian-4-yl)pyridin-3-amine
CID 43688439
N-cyclohex-2-en-1-yl-6-methoxypyridin-3-amine
CID 107906229
N-[3-(difluoromethoxy)-4-methoxyphenyl]thian-3-amine
CID 55129736
4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine
CID 113249980
4-N,4-N-diethyl-1-N-(thian-3-yl)benzene-1,4-diamine
CID 62873258
5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine
CID 115733683
2,2-difluoro-N-(thian-3-yl)-1,3-benzodioxol-5-amine
CID 62871583
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(thian-3-yl)pyridin-3-amine?
The IUPAC name of 6-methoxy-N-(thian-3-yl)pyridin-3-amine (CID 62873047) is 6-methoxy-N-(thian-3-yl)pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-(thian-3-yl)pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-(thian-3-yl)pyridin-3-amine is COc1ccc(NC2CCCSC2)cn1.
What is the InChIKey of 6-methoxy-N-(thian-3-yl)pyridin-3-amine?
The InChIKey is TWFKFGFPKCQCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-14-11-5-4-9(7-12-11)13-10-3-2-6-15-8-10/h4-5,7,10,13H,2-3,6,8H2,1H3.
What are the key properties of 6-methoxy-N-(thian-3-yl)pyridin-3-amine?
6-methoxy-N-(thian-3-yl)pyridin-3-amine has a molecular weight of 224.33 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 6-methoxy-N-(thian-3-yl)pyridin-3-amine is sourced from PubChem (CID 62873047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).