4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol

C18H29NOS — CID 62608999

IUPAC4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(CN2CCc3sccc3C2)C1
InChIInChI=1S/C18H29NOS/c1-18(2,3)15-4-5-16(20)14(10-15)12-19-8-6-17-13(11-19)7-9-21-17/h7,9,14-16,20H,4-6,8,10-12H2,1-3H3
InChIKeyYLGSYPWSFGATMJ-UHFFFAOYSA-N
MW307.50 g/mol
LogP3.93
Rot. Bonds2

About 4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol

4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol (PubChem CID 62608999) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol
PubChem CID62608999
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(CN2CCc3sccc3C2)C1
InChIInChI=1S/C18H29NOS/c1-18(2,3)15-4-5-16(20)14(10-15)12-19-8-6-17-13(11-19)7-9-21-17/h7,9,14-16,20H,4-6,8,10-12H2,1-3H3
InChIKeyYLGSYPWSFGATMJ-UHFFFAOYSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol (CID 62608999) is 4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol is CC(C)(C)C1CCC(O)C(CN2CCc3sccc3C2)C1.
What is the InChIKey of 4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol?
The InChIKey is YLGSYPWSFGATMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-18(2,3)15-4-5-16(20)14(10-15)12-19-8-6-17-13(11-19)7-9-21-17/h7,9,14-16,20H,4-6,8,10-12H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol?
4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol has a molecular weight of 307.50 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 62608999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).