2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid

C10H16N2O5S — CID 66433232

IUPAC2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid
SMILESCCC(C#N)S(=O)(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C10H16N2O5S/c1-2-9(6-11)18(15,16)12-3-4-17-8(7-12)5-10(13)14/h8-9H,2-5,7H2,1H3,(H,13,14)
InChIKeyRWQGPXHSQDYXKX-UHFFFAOYSA-N
MW276.31 g/mol
LogP-0.21
Rot. Bonds5

About 2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid

2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid (PubChem CID 66433232) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid
PubChem CID66433232
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid
SMILESCCC(C#N)S(=O)(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C10H16N2O5S/c1-2-9(6-11)18(15,16)12-3-4-17-8(7-12)5-10(13)14/h8-9H,2-5,7H2,1H3,(H,13,14)
InChIKeyRWQGPXHSQDYXKX-UHFFFAOYSA-N
XLogP-0.21
TPSA107.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid
CID 66435370
1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide
CID 103850382
2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile
CID 114398457
2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid
CID 114462839
2-(3-methylazetidin-1-yl)sulfonylbutanenitrile
CID 130634227
methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
CID 79769803
2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
CID 66435228
2-[4-(1-propan-2-ylpyrazol-4-yl)sulfonylmorpholin-2-yl]acetic acid
CID 166239342
2-[8-(1-cyanopropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608666
2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248008
2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
CID 66435629
2-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]acetic acid
CID 83067807

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid (CID 66433232) is 2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid is CCC(C#N)S(=O)(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid?
The InChIKey is RWQGPXHSQDYXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-2-9(6-11)18(15,16)12-3-4-17-8(7-12)5-10(13)14/h8-9H,2-5,7H2,1H3,(H,13,14).
What are the key properties of 2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid?
2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid has a molecular weight of 276.31 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).