(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid

C7H13NO5S — CID 155059537

IUPAC(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H13NO5S/c9-5-6(7(10)11)8-1-3-14(12,13)4-2-8/h6,9H,1-5H2,(H,10,11)/t6-/m1/s1
InChIKeyUKUJRWXGYUERFX-ZCFIWIBFSA-N
MW223.25 g/mol
LogP-1.84
Rot. Bonds3

About (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid

(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid (PubChem CID 155059537) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid
PubChem CID155059537
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Name(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H13NO5S/c9-5-6(7(10)11)8-1-3-14(12,13)4-2-8/h6,9H,1-5H2,(H,10,11)/t6-/m1/s1
InChIKeyUKUJRWXGYUERFX-ZCFIWIBFSA-N
XLogP-1.84
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid
CID 64692955
2-[4-(1-carboxy-2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-hydroxypropanoic acid
CID 57254174
(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
CID 107861678
2-(1,5,3-dithiazepan-3-yl)-3-hydroxypropanoic acid
CID 142767856
3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
CID 104550741
2-[4,7-bis(1-carboxy-3-hydroxypropyl)-1,4,7-triazacycloundec-1-yl]-4-hydroxybutanoic acid
CID 140600194
2-[4-(1-carboxy-3-hydroxypropyl)-1,4-diazepan-1-yl]-4-hydroxybutanoic acid
CID 10904172
methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoate
CID 3288684
2-(3-bromophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid
CID 154746789
2-[4,7-bis(1,3-dicarboxypropyl)-1,4,7-triazonan-1-yl]pentanedioic acid
CID 102518327
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide
CID 76915793
2-piperazin-1-ylbutanedioic acid;dihydrochloride
CID 68966423

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid (CID 155059537) is (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid is O=C(O)[C@@H](CO)N1CCS(=O)(=O)CC1.
What is the InChIKey of (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid?
The InChIKey is UKUJRWXGYUERFX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO5S/c9-5-6(7(10)11)8-1-3-14(12,13)4-2-8/h6,9H,1-5H2,(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid?
(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid has a molecular weight of 223.25 g/mol, XLogP of -1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoic acid is sourced from PubChem (CID 155059537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).