2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile

C11H14N2S2 — CID 107132929

IUPAC2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccs1)C1CCSC1
InChIInChI=1S/C11H14N2S2/c12-6-11(9-3-5-14-8-9)13-7-10-2-1-4-15-10/h1-2,4,9,11,13H,3,5,7-8H2
InChIKeyXGNZUDWPMFAYEZ-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.48
Rot. Bonds4

About 2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile

2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile (PubChem CID 107132929) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
PubChem CID107132929
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccs1)C1CCSC1
InChIInChI=1S/C11H14N2S2/c12-6-11(9-3-5-14-8-9)13-7-10-2-1-4-15-10/h1-2,4,9,11,13H,3,5,7-8H2
InChIKeyXGNZUDWPMFAYEZ-UHFFFAOYSA-N
XLogP2.48
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62071589
2-(ethylamino)-2-(thiolan-3-yl)acetonitrile
CID 107132908
3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol
CID 115646628
2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile
CID 107132960
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61005240
N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
CID 107295205
N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 107132607
N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine
CID 103930732
3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61318743
4-propan-2-yl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carbonitrile
CID 62708816

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The IUPAC name of 2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile (CID 107132929) is 2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The canonical SMILES for 2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile is N#CC(NCc1cccs1)C1CCSC1.
What is the InChIKey of 2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The InChIKey is XGNZUDWPMFAYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c12-6-11(9-3-5-14-8-9)13-7-10-2-1-4-15-10/h1-2,4,9,11,13H,3,5,7-8H2.
What are the key properties of 2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile?
2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile has a molecular weight of 238.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile is sourced from PubChem (CID 107132929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).