4-(thiolan-2-ylmethylamino)cyclohexan-1-ol

C11H21NOS — CID 106594834

IUPAC4-(thiolan-2-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCC(NCC2CCCS2)CC1
InChIInChI=1S/C11H21NOS/c13-10-5-3-9(4-6-10)12-8-11-2-1-7-14-11/h9-13H,1-8H2
InChIKeyQPNIIEFHUPYCBN-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.78
Rot. Bonds3

About 4-(thiolan-2-ylmethylamino)cyclohexan-1-ol

4-(thiolan-2-ylmethylamino)cyclohexan-1-ol (PubChem CID 106594834) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 4-(thiolan-2-ylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(thiolan-2-ylmethylamino)cyclohexan-1-ol
PubChem CID106594834
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name4-(thiolan-2-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCC(NCC2CCCS2)CC1
InChIInChI=1S/C11H21NOS/c13-10-5-3-9(4-6-10)12-8-11-2-1-7-14-11/h9-13H,1-8H2
InChIKeyQPNIIEFHUPYCBN-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-2-ylmethylamino)cyclohexan-1-ol?
The IUPAC name of 4-(thiolan-2-ylmethylamino)cyclohexan-1-ol (CID 106594834) is 4-(thiolan-2-ylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(thiolan-2-ylmethylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(thiolan-2-ylmethylamino)cyclohexan-1-ol is OC1CCC(NCC2CCCS2)CC1.
What is the InChIKey of 4-(thiolan-2-ylmethylamino)cyclohexan-1-ol?
The InChIKey is QPNIIEFHUPYCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c13-10-5-3-9(4-6-10)12-8-11-2-1-7-14-11/h9-13H,1-8H2.
What are the key properties of 4-(thiolan-2-ylmethylamino)cyclohexan-1-ol?
4-(thiolan-2-ylmethylamino)cyclohexan-1-ol has a molecular weight of 215.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-2-ylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 106594834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).