4-(cyclopentylamino)thiane-4-carbonitrile

C11H18N2S — CID 61319834

IUPAC4-(cyclopentylamino)thiane-4-carbonitrile
SMILESN#CC1(NC2CCCC2)CCSCC1
InChIInChI=1S/C11H18N2S/c12-9-11(5-7-14-8-6-11)13-10-3-1-2-4-10/h10,13H,1-8H2
InChIKeyMCQZSQVIQHTNQC-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.31
Rot. Bonds2

About 4-(cyclopentylamino)thiane-4-carbonitrile

4-(cyclopentylamino)thiane-4-carbonitrile (PubChem CID 61319834) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 4-(cyclopentylamino)thiane-4-carbonitrile.

Molecular Properties

Compound Name4-(cyclopentylamino)thiane-4-carbonitrile
PubChem CID61319834
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name4-(cyclopentylamino)thiane-4-carbonitrile
SMILESN#CC1(NC2CCCC2)CCSCC1
InChIInChI=1S/C11H18N2S/c12-9-11(5-7-14-8-6-11)13-10-3-1-2-4-10/h10,13H,1-8H2
InChIKeyMCQZSQVIQHTNQC-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 4-(cyclopentylamino)thiane-4-carbonitrile?
The IUPAC name of 4-(cyclopentylamino)thiane-4-carbonitrile (CID 61319834) is 4-(cyclopentylamino)thiane-4-carbonitrile.
What is the SMILES notation for 4-(cyclopentylamino)thiane-4-carbonitrile?
The canonical SMILES for 4-(cyclopentylamino)thiane-4-carbonitrile is N#CC1(NC2CCCC2)CCSCC1.
What is the InChIKey of 4-(cyclopentylamino)thiane-4-carbonitrile?
The InChIKey is MCQZSQVIQHTNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c12-9-11(5-7-14-8-6-11)13-10-3-1-2-4-10/h10,13H,1-8H2.
What are the key properties of 4-(cyclopentylamino)thiane-4-carbonitrile?
4-(cyclopentylamino)thiane-4-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 4-(cyclopentylamino)thiane-4-carbonitrile is sourced from PubChem (CID 61319834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).