ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C13H23NS — CID 143138018

IUPACethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCC.Cc1c(C(C)C)sc2c1CCNC2
InChIInChI=1S/C11H17NS.C2H6/c1-7(2)11-8(3)9-4-5-12-6-10(9)13-11;1-2/h7,12H,4-6H2,1-3H3;1-2H3
InChIKeyMPQRCOFTDUJGKD-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.85
Rot. Bonds1

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

ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 143138018) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID143138018
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Nameethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCC.Cc1c(C(C)C)sc2c1CCNC2
InChIInChI=1S/C11H17NS.C2H6/c1-7(2)11-8(3)9-4-5-12-6-10(9)13-11;1-2/h7,12H,4-6H2,1-3H3;1-2H3
InChIKeyMPQRCOFTDUJGKD-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 89159795
3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 123704110
3-methyl-2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran
CID 70888591
N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide
CID 156883419
2,3-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
CID 89116472
ethyl 3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate
CID 67523689
3-methoxy-2-propan-2-yl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
CID 46849909
8-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine
CID 83398136
methyl 2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 90396396
2-[[(1R)-1-(3,5-difluorophenyl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 95209586
2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 70843901
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-methylsulfonylpropanamide
CID 104520627

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 143138018) is ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is CC.Cc1c(C(C)C)sc2c1CCNC2.
What is the InChIKey of ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is MPQRCOFTDUJGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS.C2H6/c1-7(2)11-8(3)9-4-5-12-6-10(9)13-11;1-2/h7,12H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 225.40 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 143138018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).