1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol

C18H33NOS — CID 56981145

IUPAC1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol
SMILESCCN(CC)S1(C(O)C(C)C)C=CC(C2CCCCC2)=C1
InChIInChI=1S/C18H33NOS/c1-5-19(6-2)21(18(20)15(3)4)13-12-17(14-21)16-10-8-7-9-11-16/h12-16,18,20H,5-11H2,1-4H3
InChIKeyQCCSMTDLDKJGLE-UHFFFAOYSA-N
MW311.54 g/mol
LogP5.01
Rot. Bonds6

About 1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol

1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol (PubChem CID 56981145) has the molecular formula C18H33NOS and a molecular weight of 311.54 g/mol. Its IUPAC name is 1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol
PubChem CID56981145
Molecular FormulaC18H33NOS
Molecular Weight311.54 g/mol
Exact Mass311.23
IUPAC Name1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol
SMILESCCN(CC)S1(C(O)C(C)C)C=CC(C2CCCCC2)=C1
InChIInChI=1S/C18H33NOS/c1-5-19(6-2)21(18(20)15(3)4)13-12-17(14-21)16-10-8-7-9-11-16/h12-16,18,20H,5-11H2,1-4H3
InChIKeyQCCSMTDLDKJGLE-UHFFFAOYSA-N
XLogP5.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.54
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol (CID 56981145) is 1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol is CCN(CC)S1(C(O)C(C)C)C=CC(C2CCCCC2)=C1.
What is the InChIKey of 1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol?
The InChIKey is QCCSMTDLDKJGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NOS/c1-5-19(6-2)21(18(20)15(3)4)13-12-17(14-21)16-10-8-7-9-11-16/h12-16,18,20H,5-11H2,1-4H3.
What are the key properties of 1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol?
1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol has a molecular weight of 311.54 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclohexyl-1-(diethylamino)thiophen-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 56981145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).