(3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol

C16H21NOS — CID 81143484

IUPAC(3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol
SMILESCC1CC(C)CC(C(O)c2cnc3ccsc3c2)C1
InChIInChI=1S/C16H21NOS/c1-10-5-11(2)7-12(6-10)16(18)13-8-15-14(17-9-13)3-4-19-15/h3-4,8-12,16,18H,5-7H2,1-2H3
InChIKeyWXWSOCMEFYNHDB-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.40
Rot. Bonds2

About (3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol

(3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol (PubChem CID 81143484) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol
PubChem CID81143484
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name(3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol
SMILESCC1CC(C)CC(C(O)c2cnc3ccsc3c2)C1
InChIInChI=1S/C16H21NOS/c1-10-5-11(2)7-12(6-10)16(18)13-8-15-14(17-9-13)3-4-19-15/h3-4,8-12,16,18H,5-7H2,1-2H3
InChIKeyWXWSOCMEFYNHDB-UHFFFAOYSA-N
XLogP4.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol?
The IUPAC name of (3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol (CID 81143484) is (3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol?
The canonical SMILES for (3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol is CC1CC(C)CC(C(O)c2cnc3ccsc3c2)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol?
The InChIKey is WXWSOCMEFYNHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-10-5-11(2)7-12(6-10)16(18)13-8-15-14(17-9-13)3-4-19-15/h3-4,8-12,16,18H,5-7H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol?
(3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol has a molecular weight of 275.42 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanol is sourced from PubChem (CID 81143484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).