butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine

C12H21NS — CID 167664571

IUPACbutane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCCCC.CN1CCc2ccsc2C1
InChIInChI=1S/C8H11NS.C4H10/c1-9-4-2-7-3-5-10-8(7)6-9;1-3-4-2/h3,5H,2,4,6H2,1H3;3-4H2,1-2H3
InChIKeySLBCQYVSXDWEAO-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.54
Rot. Bonds1

About butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine

butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 167664571) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Namebutane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID167664571
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Namebutane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCCCC.CN1CCc2ccsc2C1
InChIInChI=1S/C8H11NS.C4H10/c1-9-4-2-7-3-5-10-8(7)6-9;1-3-4-2/h3,5H,2,4,6H2,1H3;3-4H2,1-2H3
InChIKeySLBCQYVSXDWEAO-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene
CID 144580255
6-prop-1-en-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 70216021
4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine
CID 151827450
3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686727
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 60774931
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanamine
CID 82504009
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene
CID 11810326
2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene
CID 143297681
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
CID 144594462
6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155395760

Frequently Asked Questions

What is the IUPAC name of butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 167664571) is butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is CCCC.CN1CCc2ccsc2C1.
What is the InChIKey of butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is SLBCQYVSXDWEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS.C4H10/c1-9-4-2-7-3-5-10-8(7)6-9;1-3-4-2/h3,5H,2,4,6H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 211.37 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 167664571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).