4-propylthiomorpholine-3-carbonitrile

C8H14N2S — CID 130667099

IUPAC4-propylthiomorpholine-3-carbonitrile
SMILESCCCN1CCSCC1C#N
InChIInChI=1S/C8H14N2S/c1-2-3-10-4-5-11-7-8(10)6-9/h8H,2-5,7H2,1H3
InChIKeyJADKZJIOGQRYHS-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.34
Rot. Bonds2

About 4-propylthiomorpholine-3-carbonitrile

4-propylthiomorpholine-3-carbonitrile (PubChem CID 130667099) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-propylthiomorpholine-3-carbonitrile.

Molecular Properties

Compound Name4-propylthiomorpholine-3-carbonitrile
PubChem CID130667099
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-propylthiomorpholine-3-carbonitrile
SMILESCCCN1CCSCC1C#N
InChIInChI=1S/C8H14N2S/c1-2-3-10-4-5-11-7-8(10)6-9/h8H,2-5,7H2,1H3
InChIKeyJADKZJIOGQRYHS-UHFFFAOYSA-N
XLogP1.34
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 130667472
(3R)-4-[(2R)-2-amino-3-methylbutanoyl]thiomorpholine-3-carbonitrile
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1-pent-3-ynylpyrrolidine-2-carbonitrile
CID 104807705
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
3-[2-(propan-2-ylamino)acetyl]-1,3-thiazolidine-4-carbonitrile
CID 18687642
2-propyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
CID 82906267
4-(4-bromo-2-methoxybenzoyl)thiomorpholine-3-carbonitrile
CID 122134535
1-acetyl-N-[2-(4-cyano-1,3-thiazolidin-3-yl)ethylamino]piperidin-4-amine oxide
CID 87952995
(1R)-1-(4-methylthiomorpholin-3-yl)butan-1-amine
CID 106446169
4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecane-3-carbonitrile
CID 112541060
4-(4-cyano-4-methylpentyl)thiomorpholine-3-carboxylic acid
CID 82906395
1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperazine-2-carbonitrile
CID 79085778

Frequently Asked Questions

What is the IUPAC name of 4-propylthiomorpholine-3-carbonitrile?
The IUPAC name of 4-propylthiomorpholine-3-carbonitrile (CID 130667099) is 4-propylthiomorpholine-3-carbonitrile.
What is the SMILES notation for 4-propylthiomorpholine-3-carbonitrile?
The canonical SMILES for 4-propylthiomorpholine-3-carbonitrile is CCCN1CCSCC1C#N.
What is the InChIKey of 4-propylthiomorpholine-3-carbonitrile?
The InChIKey is JADKZJIOGQRYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-2-3-10-4-5-11-7-8(10)6-9/h8H,2-5,7H2,1H3.
What are the key properties of 4-propylthiomorpholine-3-carbonitrile?
4-propylthiomorpholine-3-carbonitrile has a molecular weight of 170.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylthiomorpholine-3-carbonitrile is sourced from PubChem (CID 130667099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).