1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol

C15H27NOS — CID 57123147

IUPAC1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol
SMILESCCNS1(CC(C)O)C=CC(C2CCCCC2)=C1
InChIInChI=1S/C15H27NOS/c1-3-16-18(11-13(2)17)10-9-15(12-18)14-7-5-4-6-8-14/h9-10,12-14,16-17H,3-8,11H2,1-2H3
InChIKeyWUYZENRCQXMBKE-UHFFFAOYSA-N
MW269.45 g/mol
LogP3.69
Rot. Bonds5

About 1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol

1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol (PubChem CID 57123147) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol
PubChem CID57123147
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol
SMILESCCNS1(CC(C)O)C=CC(C2CCCCC2)=C1
InChIInChI=1S/C15H27NOS/c1-3-16-18(11-13(2)17)10-9-15(12-18)14-7-5-4-6-8-14/h9-10,12-14,16-17H,3-8,11H2,1-2H3
InChIKeyWUYZENRCQXMBKE-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol?
The IUPAC name of 1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol (CID 57123147) is 1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol?
The canonical SMILES for 1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol is CCNS1(CC(C)O)C=CC(C2CCCCC2)=C1.
What is the InChIKey of 1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol?
The InChIKey is WUYZENRCQXMBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-3-16-18(11-13(2)17)10-9-15(12-18)14-7-5-4-6-8-14/h9-10,12-14,16-17H,3-8,11H2,1-2H3.
What are the key properties of 1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol?
1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol has a molecular weight of 269.45 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclohexyl-1-(ethylamino)thiophen-1-yl]propan-2-ol is sourced from PubChem (CID 57123147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).