3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol

C11H17NOS — CID 102829342

IUPAC3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol
SMILESCc1sccc1C1(O)CCCC(N)C1
InChIInChI=1S/C11H17NOS/c1-8-10(4-6-14-8)11(13)5-2-3-9(12)7-11/h4,6,9,13H,2-3,5,7,12H2,1H3
InChIKeyHTBRCNIPHPYBTG-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.15
Rot. Bonds1

About 3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol

3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol (PubChem CID 102829342) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol
PubChem CID102829342
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol
SMILESCc1sccc1C1(O)CCCC(N)C1
InChIInChI=1S/C11H17NOS/c1-8-10(4-6-14-8)11(13)5-2-3-9(12)7-11/h4,6,9,13H,2-3,5,7,12H2,1H3
InChIKeyHTBRCNIPHPYBTG-UHFFFAOYSA-N
XLogP2.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol?
The IUPAC name of 3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol (CID 102829342) is 3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol is Cc1sccc1C1(O)CCCC(N)C1.
What is the InChIKey of 3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol?
The InChIKey is HTBRCNIPHPYBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-10(4-6-14-8)11(13)5-2-3-9(12)7-11/h4,6,9,13H,2-3,5,7,12H2,1H3.
What are the key properties of 3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol?
3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol has a molecular weight of 211.33 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 102829342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).