2-(4-sulfamoylthiomorpholin-3-yl)acetic acid

C6H12N2O4S2 — CID 114958951

IUPAC2-(4-sulfamoylthiomorpholin-3-yl)acetic acid
SMILESNS(=O)(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C6H12N2O4S2/c7-14(11,12)8-1-2-13-4-5(8)3-6(9)10/h5H,1-4H2,(H,9,10)(H2,7,11,12)
InChIKeyIRPCJBWBTUNZFB-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.92
Rot. Bonds3

About 2-(4-sulfamoylthiomorpholin-3-yl)acetic acid

2-(4-sulfamoylthiomorpholin-3-yl)acetic acid (PubChem CID 114958951) has the molecular formula C6H12N2O4S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(4-sulfamoylthiomorpholin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-sulfamoylthiomorpholin-3-yl)acetic acid
PubChem CID114958951
Molecular FormulaC6H12N2O4S2
Molecular Weight240.31 g/mol
Exact Mass240.02
IUPAC Name2-(4-sulfamoylthiomorpholin-3-yl)acetic acid
SMILESNS(=O)(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C6H12N2O4S2/c7-14(11,12)8-1-2-13-4-5(8)3-6(9)10/h5H,1-4H2,(H,9,10)(H2,7,11,12)
InChIKeyIRPCJBWBTUNZFB-UHFFFAOYSA-N
XLogP-0.92
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid
CID 66445474
2-[4-(3-methoxypropylsulfonyl)thiomorpholin-3-yl]acetic acid
CID 66445470
2-[4-(2,6-dichlorophenyl)sulfonylthiomorpholin-3-yl]acetic acid
CID 66443515
2-[4-(2,5-dimethylthiophen-3-yl)sulfonylthiomorpholin-3-yl]acetic acid
CID 66445862
2-[4-(2-fluoro-5-methylphenyl)sulfonylthiomorpholin-3-yl]acetic acid
CID 66443907
2-[4-(4-fluoro-2-methylphenyl)sulfonylthiomorpholin-3-yl]acetic acid
CID 66443121
2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid
CID 66442999
2-(4-ethoxycarbonylthiomorpholin-3-yl)acetic acid
CID 66444292
2-[4-(3-methoxyphenyl)sulfonylthiomorpholin-3-yl]acetic acid
CID 81264881
2-[4-(2,2-difluoroethyl)thiomorpholin-3-yl]acetic acid
CID 66445733
2-[4-(2,2,2-trifluoroethyl)thiomorpholin-3-yl]acetic acid
CID 66444400
2-[4-(5-hydroxypentyl)thiomorpholin-3-yl]acetic acid
CID 66445509

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylthiomorpholin-3-yl)acetic acid?
The IUPAC name of 2-(4-sulfamoylthiomorpholin-3-yl)acetic acid (CID 114958951) is 2-(4-sulfamoylthiomorpholin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-sulfamoylthiomorpholin-3-yl)acetic acid?
The canonical SMILES for 2-(4-sulfamoylthiomorpholin-3-yl)acetic acid is NS(=O)(=O)N1CCSCC1CC(=O)O.
What is the InChIKey of 2-(4-sulfamoylthiomorpholin-3-yl)acetic acid?
The InChIKey is IRPCJBWBTUNZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S2/c7-14(11,12)8-1-2-13-4-5(8)3-6(9)10/h5H,1-4H2,(H,9,10)(H2,7,11,12).
What are the key properties of 2-(4-sulfamoylthiomorpholin-3-yl)acetic acid?
2-(4-sulfamoylthiomorpholin-3-yl)acetic acid has a molecular weight of 240.31 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylthiomorpholin-3-yl)acetic acid is sourced from PubChem (CID 114958951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).