2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid

C10H18N2O3S — CID 66444524

IUPAC2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid
SMILESCCN(C)C(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C10H18N2O3S/c1-3-11(2)10(15)12-4-5-16-7-8(12)6-9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyZRTQILXCHCFQCC-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.95
Rot. Bonds3

About 2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid

2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid (PubChem CID 66444524) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid
PubChem CID66444524
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid
SMILESCCN(C)C(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C10H18N2O3S/c1-3-11(2)10(15)12-4-5-16-7-8(12)6-9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyZRTQILXCHCFQCC-UHFFFAOYSA-N
XLogP0.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[methyl(3-methylsulfanylpropyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 114237781
2-[4-[ethyl(2-methylbutyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 79469823
2-[4-[butyl(ethyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444126
2-[4-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444769
2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid
CID 66445503
2-[4-[2-(dimethylamino)propylcarbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444010
2-(4-ethoxycarbonylthiomorpholin-3-yl)acetic acid
CID 66444292
2-[4-[methyl(oxan-3-ylmethyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66443613
2-[4-(3,4-dimethylpentanoyl)thiomorpholin-3-yl]acetic acid
CID 119210437
2-[4-[cyclopropyl(2-methylpropyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66443197
2-[4-(4-propan-2-ylpiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 103500479
2-[4-[2-(aminomethyl)butanoyl]thiomorpholin-3-yl]acetic acid
CID 66443395

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid (CID 66444524) is 2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid is CCN(C)C(=O)N1CCSCC1CC(=O)O.
What is the InChIKey of 2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is ZRTQILXCHCFQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-3-11(2)10(15)12-4-5-16-7-8(12)6-9(13)14/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid?
2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 246.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66444524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).