3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide

C7H14N2O4S — CID 106172340

IUPAC3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide
SMILESNC(=O)C(O)CN1CCCCS1(=O)=O
InChIInChI=1S/C7H14N2O4S/c8-7(11)6(10)5-9-3-1-2-4-14(9,12)13/h6,10H,1-5H2,(H2,8,11)
InChIKeyCZJXKLDAYUNHDV-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.74
Rot. Bonds3

About 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide

3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide (PubChem CID 106172340) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide
PubChem CID106172340
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide
SMILESNC(=O)C(O)CN1CCCCS1(=O)=O
InChIInChI=1S/C7H14N2O4S/c8-7(11)6(10)5-9-3-1-2-4-14(9,12)13/h6,10H,1-5H2,(H2,8,11)
InChIKeyCZJXKLDAYUNHDV-UHFFFAOYSA-N
XLogP-1.74
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-3-pyrrolidin-1-ylpropanamide
CID 139994920
1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine
CID 116816809
1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
CID 112560169
1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol
CID 115584238
3-(1,1-dioxothiazinan-2-yl)propanethioamide
CID 116814614
3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol
CID 106116980
1-(4-aminophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol
CID 43461409
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
CID 110720874
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide
CID 110720877
(1,1-dioxo-1,2-thiazolidin-2-yl)methanol
CID 130129909
5-(1,1-dioxothiazinan-2-yl)-2-methylpentanoic acid
CID 116814539
N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687638

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide (CID 106172340) is 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide is NC(=O)C(O)CN1CCCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide?
The InChIKey is CZJXKLDAYUNHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c8-7(11)6(10)5-9-3-1-2-4-14(9,12)13/h6,10H,1-5H2,(H2,8,11).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide?
3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide has a molecular weight of 222.27 g/mol, XLogP of -1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-2-hydroxypropanamide is sourced from PubChem (CID 106172340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).