4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid

C10H17NO5S2 — CID 82901357

IUPAC4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H17NO5S2/c12-10(13)9-6-17-5-3-11(9)18(14,15)7-8-2-1-4-16-8/h8-9H,1-7H2,(H,12,13)
InChIKeyHXBZZVBVPYJFNQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP-0.00
Rot. Bonds4

About 4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid

4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid (PubChem CID 82901357) has the molecular formula C10H17NO5S2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid
PubChem CID82901357
Molecular FormulaC10H17NO5S2
Molecular Weight295.38 g/mol
Exact Mass295.05
IUPAC Name4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H17NO5S2/c12-10(13)9-6-17-5-3-11(9)18(14,15)7-8-2-1-4-16-8/h8-9H,1-7H2,(H,12,13)
InChIKeyHXBZZVBVPYJFNQ-UHFFFAOYSA-N
XLogP-0.00
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-4-carboxylic acid
CID 106742431
1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine
CID 64560160
1-(4-methylthiomorpholin-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 103595383
2-[1-(oxolan-2-ylmethylsulfonyl)azetidin-3-yl]acetic acid
CID 64617242
[1-(oxolan-2-ylmethylsulfonyl)azepan-2-yl]methanamine
CID 116640178
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
CID 63247301
2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-2-carboxylic acid
CID 104595573
2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid
CID 63877001
3-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-3-carboxylic acid
CID 63247201
[5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanol
CID 81218861
1-[2-(oxolan-2-yl)acetyl]azepane-2-carboxylic acid
CID 65156903
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]thiomorpholine-3-carboxylic acid
CID 78980416

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid (CID 82901357) is 4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1S(=O)(=O)CC1CCCO1.
What is the InChIKey of 4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid?
The InChIKey is HXBZZVBVPYJFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S2/c12-10(13)9-6-17-5-3-11(9)18(14,15)7-8-2-1-4-16-8/h8-9H,1-7H2,(H,12,13).
What are the key properties of 4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid?
4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylsulfonyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82901357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).