[3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol

C15H20N2OS — CID 62526536

IUPAC[3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2nccc3sccc23)C1
InChIInChI=1S/C15H20N2OS/c1-11-3-2-6-15(9-11,10-18)17-14-12-5-8-19-13(12)4-7-16-14/h4-5,7-8,11,18H,2-3,6,9-10H2,1H3,(H,16,17)
InChIKeyWBCUVUWPNPYRGD-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.65
Rot. Bonds3

About [3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol

[3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol (PubChem CID 62526536) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is [3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol
PubChem CID62526536
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name[3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2nccc3sccc23)C1
InChIInChI=1S/C15H20N2OS/c1-11-3-2-6-15(9-11,10-18)17-14-12-5-8-19-13(12)4-7-16-14/h4-5,7-8,11,18H,2-3,6,9-10H2,1H3,(H,16,17)
InChIKeyWBCUVUWPNPYRGD-UHFFFAOYSA-N
XLogP3.65
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol (CID 62526536) is [3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol is CC1CCCC(CO)(Nc2nccc3sccc23)C1.
What is the InChIKey of [3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol?
The InChIKey is WBCUVUWPNPYRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-3-2-6-15(9-11,10-18)17-14-12-5-8-19-13(12)4-7-16-14/h4-5,7-8,11,18H,2-3,6,9-10H2,1H3,(H,16,17).
What are the key properties of [3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol?
[3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol has a molecular weight of 276.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 62526536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).