1-methyl-4-thiophen-2-ylazepan-4-ol

C11H17NOS — CID 65075278

IUPAC1-methyl-4-thiophen-2-ylazepan-4-ol
SMILESCN1CCCC(O)(c2cccs2)CC1
InChIInChI=1S/C11H17NOS/c1-12-7-3-5-11(13,6-8-12)10-4-2-9-14-10/h2,4,9,13H,3,5-8H2,1H3
InChIKeyZNIFFNLFLNVSLA-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.05
Rot. Bonds1

About 1-methyl-4-thiophen-2-ylazepan-4-ol

1-methyl-4-thiophen-2-ylazepan-4-ol (PubChem CID 65075278) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-methyl-4-thiophen-2-ylazepan-4-ol.

Molecular Properties

Compound Name1-methyl-4-thiophen-2-ylazepan-4-ol
PubChem CID65075278
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-methyl-4-thiophen-2-ylazepan-4-ol
SMILESCN1CCCC(O)(c2cccs2)CC1
InChIInChI=1S/C11H17NOS/c1-12-7-3-5-11(13,6-8-12)10-4-2-9-14-10/h2,4,9,13H,3,5-8H2,1H3
InChIKeyZNIFFNLFLNVSLA-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-thiophen-2-ylazepan-4-ol?
The IUPAC name of 1-methyl-4-thiophen-2-ylazepan-4-ol (CID 65075278) is 1-methyl-4-thiophen-2-ylazepan-4-ol.
What is the SMILES notation for 1-methyl-4-thiophen-2-ylazepan-4-ol?
The canonical SMILES for 1-methyl-4-thiophen-2-ylazepan-4-ol is CN1CCCC(O)(c2cccs2)CC1.
What is the InChIKey of 1-methyl-4-thiophen-2-ylazepan-4-ol?
The InChIKey is ZNIFFNLFLNVSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-12-7-3-5-11(13,6-8-12)10-4-2-9-14-10/h2,4,9,13H,3,5-8H2,1H3.
What are the key properties of 1-methyl-4-thiophen-2-ylazepan-4-ol?
1-methyl-4-thiophen-2-ylazepan-4-ol has a molecular weight of 211.33 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-thiophen-2-ylazepan-4-ol is sourced from PubChem (CID 65075278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).