2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile

C14H19N3O3S — CID 115315299

IUPAC2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile
SMILESCC(N)C1CN(S(=O)(=O)c2ccc(CC#N)cc2)CCO1
InChIInChI=1S/C14H19N3O3S/c1-11(16)14-10-17(8-9-20-14)21(18,19)13-4-2-12(3-5-13)6-7-15/h2-5,11,14H,6,8-10,16H2,1H3
InChIKeyYHUNIGRVGBSLRT-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.49
Rot. Bonds4

About 2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile

2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile (PubChem CID 115315299) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile
PubChem CID115315299
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile
SMILESCC(N)C1CN(S(=O)(=O)c2ccc(CC#N)cc2)CCO1
InChIInChI=1S/C14H19N3O3S/c1-11(16)14-10-17(8-9-20-14)21(18,19)13-4-2-12(3-5-13)6-7-15/h2-5,11,14H,6,8-10,16H2,1H3
InChIKeyYHUNIGRVGBSLRT-UHFFFAOYSA-N
XLogP0.49
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonylphenyl]acetonitrile
CID 103976027
2-[4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetonitrile
CID 79203418
2-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetonitrile
CID 79203402
2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile
CID 115315266
2-[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]acetonitrile
CID 165180543
2-[4-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 103721169
2-[4-(2-methylthiomorpholin-4-yl)sulfonylphenyl]acetonitrile
CID 115671948
2-[4-(3,4-dimethylpiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 115872304
2-[4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylphenyl]acetonitrile
CID 79203535
2-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonylphenyl]acetonitrile
CID 79410030
2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]acetonitrile
CID 79185826
2-[1-[4-(cyanomethyl)phenyl]sulfonylazetidin-3-yl]propanoic acid
CID 116681804

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile?
The IUPAC name of 2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile (CID 115315299) is 2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile is CC(N)C1CN(S(=O)(=O)c2ccc(CC#N)cc2)CCO1.
What is the InChIKey of 2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile?
The InChIKey is YHUNIGRVGBSLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-11(16)14-10-17(8-9-20-14)21(18,19)13-4-2-12(3-5-13)6-7-15/h2-5,11,14H,6,8-10,16H2,1H3.
What are the key properties of 2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile?
2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile has a molecular weight of 309.39 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile is sourced from PubChem (CID 115315299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).