2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile

C11H18N2S — CID 107132960

IUPAC2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile
SMILESN#CC(NC1CCCC1)C1CCSC1
InChIInChI=1S/C11H18N2S/c12-7-11(9-5-6-14-8-9)13-10-3-1-2-4-10/h9-11,13H,1-6,8H2
InChIKeyOKKLAFCEXOPHNJ-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.16
Rot. Bonds3

About 2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile

2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile (PubChem CID 107132960) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile
PubChem CID107132960
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile
SMILESN#CC(NC1CCCC1)C1CCSC1
InChIInChI=1S/C11H18N2S/c12-7-11(9-5-6-14-8-9)13-10-3-1-2-4-10/h9-11,13H,1-6,8H2
InChIKeyOKKLAFCEXOPHNJ-UHFFFAOYSA-N
XLogP2.16
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile?
The IUPAC name of 2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile (CID 107132960) is 2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile.
What is the SMILES notation for 2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile?
The canonical SMILES for 2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile is N#CC(NC1CCCC1)C1CCSC1.
What is the InChIKey of 2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile?
The InChIKey is OKKLAFCEXOPHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c12-7-11(9-5-6-14-8-9)13-10-3-1-2-4-10/h9-11,13H,1-6,8H2.
What are the key properties of 2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile?
2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile has a molecular weight of 210.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile is sourced from PubChem (CID 107132960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).