2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid

C10H19NO4S2 — CID 66445474

IUPAC2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid
SMILESCC(C)(C)S(=O)(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C10H19NO4S2/c1-10(2,3)17(14,15)11-4-5-16-7-8(11)6-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyBLLRCSJSRMROAN-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.01
Rot. Bonds3

About 2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid

2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid (PubChem CID 66445474) has the molecular formula C10H19NO4S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid
PubChem CID66445474
Molecular FormulaC10H19NO4S2
Molecular Weight281.40 g/mol
Exact Mass281.08
IUPAC Name2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid
SMILESCC(C)(C)S(=O)(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C10H19NO4S2/c1-10(2,3)17(14,15)11-4-5-16-7-8(11)6-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyBLLRCSJSRMROAN-UHFFFAOYSA-N
XLogP1.01
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(bromomethyl)-4-tert-butylsulfonylthiomorpholine
CID 130769973
2-(4-sulfamoylthiomorpholin-3-yl)acetic acid
CID 114958951
2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid
CID 63689892
2-[4-(3-methoxypropylsulfonyl)thiomorpholin-3-yl]acetic acid
CID 66445470
2-[4-(2,5-dimethylthiophen-3-yl)sulfonylthiomorpholin-3-yl]acetic acid
CID 66445862
2-[4-(4-fluoro-2-methylphenyl)sulfonylthiomorpholin-3-yl]acetic acid
CID 66443121
2-[4-(2-fluoro-5-methylphenyl)sulfonylthiomorpholin-3-yl]acetic acid
CID 66443907
2-[4-(3-methoxyphenyl)sulfonylthiomorpholin-3-yl]acetic acid
CID 81264881
2-[4-(2,6-dichlorophenyl)sulfonylthiomorpholin-3-yl]acetic acid
CID 66443515
2-[4-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 79558482
2-[4-(2,2,2-trifluoroethyl)thiomorpholin-3-yl]acetic acid
CID 66444400
2-[4-(2-amino-2-cyclopropylpropanoyl)thiomorpholin-3-yl]acetic acid
CID 66445351

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid?
The IUPAC name of 2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid (CID 66445474) is 2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid?
The canonical SMILES for 2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid is CC(C)(C)S(=O)(=O)N1CCSCC1CC(=O)O.
What is the InChIKey of 2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid?
The InChIKey is BLLRCSJSRMROAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S2/c1-10(2,3)17(14,15)11-4-5-16-7-8(11)6-9(12)13/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid?
2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid has a molecular weight of 281.40 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid is sourced from PubChem (CID 66445474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).