[3-(cyclohexylamino)thiolan-3-yl]methanol

C11H21NOS — CID 61045268

IUPAC[3-(cyclohexylamino)thiolan-3-yl]methanol
SMILESOCC1(NC2CCCCC2)CCSC1
InChIInChI=1S/C11H21NOS/c13-8-11(6-7-14-9-11)12-10-4-2-1-3-5-10/h10,12-13H,1-9H2
InChIKeyIANYEIAQRFGRGG-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.78
Rot. Bonds3

About [3-(cyclohexylamino)thiolan-3-yl]methanol

[3-(cyclohexylamino)thiolan-3-yl]methanol (PubChem CID 61045268) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is [3-(cyclohexylamino)thiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(cyclohexylamino)thiolan-3-yl]methanol
PubChem CID61045268
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name[3-(cyclohexylamino)thiolan-3-yl]methanol
SMILESOCC1(NC2CCCCC2)CCSC1
InChIInChI=1S/C11H21NOS/c13-8-11(6-7-14-9-11)12-10-4-2-1-3-5-10/h10,12-13H,1-9H2
InChIKeyIANYEIAQRFGRGG-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 [3-(cyclohexylamino)thiolan-3-yl]methanol?
The IUPAC name of [3-(cyclohexylamino)thiolan-3-yl]methanol (CID 61045268) is [3-(cyclohexylamino)thiolan-3-yl]methanol.
What is the SMILES notation for [3-(cyclohexylamino)thiolan-3-yl]methanol?
The canonical SMILES for [3-(cyclohexylamino)thiolan-3-yl]methanol is OCC1(NC2CCCCC2)CCSC1.
What is the InChIKey of [3-(cyclohexylamino)thiolan-3-yl]methanol?
The InChIKey is IANYEIAQRFGRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c13-8-11(6-7-14-9-11)12-10-4-2-1-3-5-10/h10,12-13H,1-9H2.
What are the key properties of [3-(cyclohexylamino)thiolan-3-yl]methanol?
[3-(cyclohexylamino)thiolan-3-yl]methanol 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 [3-(cyclohexylamino)thiolan-3-yl]methanol is sourced from PubChem (CID 61045268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).