2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid

C11H19NO3S — CID 66419999

IUPAC2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C1CCCOC1
InChIInChI=1S/C11H19NO3S/c13-11(14)6-10-8-16-5-3-12(10)9-2-1-4-15-7-9/h9-10H,1-8H2,(H,13,14)
InChIKeySLZJFUASFRMBFN-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.06
Rot. Bonds3

About 2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid

2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid (PubChem CID 66419999) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid
PubChem CID66419999
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C1CCCOC1
InChIInChI=1S/C11H19NO3S/c13-11(14)6-10-8-16-5-3-12(10)9-2-1-4-15-7-9/h9-10H,1-8H2,(H,13,14)
InChIKeySLZJFUASFRMBFN-UHFFFAOYSA-N
XLogP1.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(oxolan-3-yl)pyrrolidin-2-yl]acetic acid
CID 63563210
2-[4-(4,4-dimethylcyclohexyl)thiomorpholin-3-yl]acetic acid
CID 66422970
2-[4-(4-tert-butylcycloheptyl)thiomorpholin-3-yl]acetic acid
CID 66421781
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)thiomorpholin-3-yl]acetic acid
CID 79894676
2-[4-(oxolane-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444452
2-[4-[methyl(oxan-3-ylmethyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66443613
2-[4-(cyclobutylmethyl)thiomorpholin-3-yl]acetic acid
CID 66443385
2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid
CID 66432953
2-[1-(thian-4-yl)pyrrolidin-2-yl]acetic acid
CID 65068053
2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid
CID 120520657
2-[4-(cyclohexanecarbonyl)thiomorpholin-3-yl]acetic acid
CID 66444455
2-[4-(2-cyclopropylethyl)thiomorpholin-3-yl]acetic acid
CID 66443767

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid (CID 66419999) is 2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C1CCCOC1.
What is the InChIKey of 2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid?
The InChIKey is SLZJFUASFRMBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c13-11(14)6-10-8-16-5-3-12(10)9-2-1-4-15-7-9/h9-10H,1-8H2,(H,13,14).
What are the key properties of 2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid?
2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid has a molecular weight of 245.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66419999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).