(2R)-4-benzylthiomorpholine-2-carbonitrile

C12H14N2S — CID 124634714

IUPAC(2R)-4-benzylthiomorpholine-2-carbonitrile
SMILESN#C[C@H]1CN(Cc2ccccc2)CCS1
InChIInChI=1S/C12H14N2S/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2/t12-/m0/s1
InChIKeyMHCGQTIRDYNRHK-LBPRGKRZSA-N
MW218.33 g/mol
LogP2.13
Rot. Bonds2

About (2R)-4-benzylthiomorpholine-2-carbonitrile

(2R)-4-benzylthiomorpholine-2-carbonitrile (PubChem CID 124634714) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is (2R)-4-benzylthiomorpholine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-4-benzylthiomorpholine-2-carbonitrile
PubChem CID124634714
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name(2R)-4-benzylthiomorpholine-2-carbonitrile
SMILESN#C[C@H]1CN(Cc2ccccc2)CCS1
InChIInChI=1S/C12H14N2S/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2/t12-/m0/s1
InChIKeyMHCGQTIRDYNRHK-LBPRGKRZSA-N
XLogP2.13
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylpiperidine-3-carbonitrile
CID 22931257
[(2S)-4-benzylthiomorpholin-2-yl]methanol
CID 130735305
(3S)-1-benzylpiperidine-3-carbonitrile
CID 86315096
1-benzylazetidine-3-carbonitrile
CID 19814762
1-benzyl-3-hydroxypiperidine-4-carbonitrile;ethane
CID 144887397
(3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile
CID 178171793
1-[2-(4-benzylpiperazin-1-yl)ethyl]piperidine-3-carbonitrile
CID 91837142
3-(1-benzylpyrrolidin-3-yl)propanenitrile
CID 83909920
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-(1,4-dibenzylpiperazin-2-yl)benzonitrile
CID 77150858
CID 58171508
CID 58171508
2-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)acetonitrile
CID 138522849

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzylthiomorpholine-2-carbonitrile?
The IUPAC name of (2R)-4-benzylthiomorpholine-2-carbonitrile (CID 124634714) is (2R)-4-benzylthiomorpholine-2-carbonitrile.
What is the SMILES notation for (2R)-4-benzylthiomorpholine-2-carbonitrile?
The canonical SMILES for (2R)-4-benzylthiomorpholine-2-carbonitrile is N#C[C@H]1CN(Cc2ccccc2)CCS1.
What is the InChIKey of (2R)-4-benzylthiomorpholine-2-carbonitrile?
The InChIKey is MHCGQTIRDYNRHK-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14N2S/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2/t12-/m0/s1.
What are the key properties of (2R)-4-benzylthiomorpholine-2-carbonitrile?
(2R)-4-benzylthiomorpholine-2-carbonitrile has a molecular weight of 218.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzylthiomorpholine-2-carbonitrile is sourced from PubChem (CID 124634714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).