7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine

C13H18N2OS — CID 115008376

IUPAC7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine
SMILESCOc1ccc2c(c1)NC1CCSCC1C2N
InChIInChI=1S/C13H18N2OS/c1-16-8-2-3-9-12(6-8)15-11-4-5-17-7-10(11)13(9)14/h2-3,6,10-11,13,15H,4-5,7,14H2,1H3
InChIKeyFVVMEKGWLZXRPC-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.24
Rot. Bonds1

About 7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine

7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine (PubChem CID 115008376) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine.

Molecular Properties

Compound Name7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine
PubChem CID115008376
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine
SMILESCOc1ccc2c(c1)NC1CCSCC1C2N
InChIInChI=1S/C13H18N2OS/c1-16-8-2-3-9-12(6-8)15-11-4-5-17-7-10(11)13(9)14/h2-3,6,10-11,13,15H,4-5,7,14H2,1H3
InChIKeyFVVMEKGWLZXRPC-UHFFFAOYSA-N
XLogP2.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine with MolForge

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Related Compounds

7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine
CID 115008380
8-fluoro-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine
CID 115008463
8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine
CID 115008450
6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid
CID 115008152
5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine
CID 86340464
4,7-dimethoxy-1,2,3,4-tetrahydroquinoline
CID 82275550
7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 115007906
3-(aminomethyl)-6-methoxy-1,3-dihydroindol-2-one
CID 53407740
4,7-dimethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 71032679
(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809
(4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
CID 82886827
N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine
CID 43674270

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine?
The IUPAC name of 7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine (CID 115008376) is 7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine.
What is the SMILES notation for 7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine?
The canonical SMILES for 7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine is COc1ccc2c(c1)NC1CCSCC1C2N.
What is the InChIKey of 7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine?
The InChIKey is FVVMEKGWLZXRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-16-8-2-3-9-12(6-8)15-11-4-5-17-7-10(11)13(9)14/h2-3,6,10-11,13,15H,4-5,7,14H2,1H3.
What are the key properties of 7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine?
7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine has a molecular weight of 250.37 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine is sourced from PubChem (CID 115008376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).