3-(cyclohexylamino)thiolane-3-carbonitrile

C11H18N2S — CID 60997661

IUPAC3-(cyclohexylamino)thiolane-3-carbonitrile
SMILESN#CC1(NC2CCCCC2)CCSC1
InChIInChI=1S/C11H18N2S/c12-8-11(6-7-14-9-11)13-10-4-2-1-3-5-10/h10,13H,1-7,9H2
InChIKeyAAAGOCHRGOGTBE-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.31
Rot. Bonds2

About 3-(cyclohexylamino)thiolane-3-carbonitrile

3-(cyclohexylamino)thiolane-3-carbonitrile (PubChem CID 60997661) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 3-(cyclohexylamino)thiolane-3-carbonitrile.

Molecular Properties

Compound Name3-(cyclohexylamino)thiolane-3-carbonitrile
PubChem CID60997661
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name3-(cyclohexylamino)thiolane-3-carbonitrile
SMILESN#CC1(NC2CCCCC2)CCSC1
InChIInChI=1S/C11H18N2S/c12-8-11(6-7-14-9-11)13-10-4-2-1-3-5-10/h10,13H,1-7,9H2
InChIKeyAAAGOCHRGOGTBE-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)thiolane-3-carbonitrile?
The IUPAC name of 3-(cyclohexylamino)thiolane-3-carbonitrile (CID 60997661) is 3-(cyclohexylamino)thiolane-3-carbonitrile.
What is the SMILES notation for 3-(cyclohexylamino)thiolane-3-carbonitrile?
The canonical SMILES for 3-(cyclohexylamino)thiolane-3-carbonitrile is N#CC1(NC2CCCCC2)CCSC1.
What is the InChIKey of 3-(cyclohexylamino)thiolane-3-carbonitrile?
The InChIKey is AAAGOCHRGOGTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c12-8-11(6-7-14-9-11)13-10-4-2-1-3-5-10/h10,13H,1-7,9H2.
What are the key properties of 3-(cyclohexylamino)thiolane-3-carbonitrile?
3-(cyclohexylamino)thiolane-3-carbonitrile has a molecular weight of 210.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)thiolane-3-carbonitrile is sourced from PubChem (CID 60997661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).