methane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C9H15NS — CID 161271104

IUPACmethane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESC.Cc1cc2c(s1)CCNC2
InChIInChI=1S/C8H11NS.CH4/c1-6-4-7-5-9-3-2-8(7)10-6;/h4,9H,2-3,5H2,1H3;1H4
InChIKeyVDVDOGRAUDPWFP-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.34
Rot. Bonds

About methane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

methane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 161271104) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is methane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Namemethane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID161271104
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Namemethane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESC.Cc1cc2c(s1)CCNC2
InChIInChI=1S/C8H11NS.CH4/c1-6-4-7-5-9-3-2-8(7)10-6;/h4,9H,2-3,5H2,1H3;1H4
InChIKeyVDVDOGRAUDPWFP-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde;hydrochloride
CID 11845087
4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-sulfinamide
CID 146611193
ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride
CID 66523915
2-methyl-4,6-dihydrothieno[3,4-b]thiophene 5-oxide
CID 58280908
2-[methyl(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)amino]ethanol
CID 53379991
dimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol
CID 144590394
2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 53213679
(2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-6-yl)methanol
CID 84659242
methyl 5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepine-2-carboxylate
CID 131270641
2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-6-carboxylic acid
CID 84667792
4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethanol;2,2,2-trifluoroacetic acid
CID 122444723
formaldehyde;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 143247723

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of methane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 161271104) is methane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for methane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for methane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is C.Cc1cc2c(s1)CCNC2.
What is the InChIKey of methane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is VDVDOGRAUDPWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS.CH4/c1-6-4-7-5-9-3-2-8(7)10-6;/h4,9H,2-3,5H2,1H3;1H4.
What are the key properties of methane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
methane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 169.29 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 161271104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).