2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid

C10H18N2O4S2 — CID 153346602

IUPAC2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)NCCN1CCCCS1=O
InChIInChI=1S/C10H18N2O4S2/c13-9(7-17-8-10(14)15)11-3-5-12-4-1-2-6-18(12)16/h1-8H2,(H,11,13)(H,14,15)
InChIKeyNHFRYGMKOJFHNS-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.32
Rot. Bonds7

About 2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid

2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid (PubChem CID 153346602) has the molecular formula C10H18N2O4S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid
PubChem CID153346602
Molecular FormulaC10H18N2O4S2
Molecular Weight294.40 g/mol
Exact Mass294.07
IUPAC Name2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)NCCN1CCCCS1=O
InChIInChI=1S/C10H18N2O4S2/c13-9(7-17-8-10(14)15)11-3-5-12-4-1-2-6-18(12)16/h1-8H2,(H,11,13)(H,14,15)
InChIKeyNHFRYGMKOJFHNS-UHFFFAOYSA-N
XLogP-0.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid (CID 153346602) is 2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid is O=C(O)CSCC(=O)NCCN1CCCCS1=O.
What is the InChIKey of 2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid?
The InChIKey is NHFRYGMKOJFHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S2/c13-9(7-17-8-10(14)15)11-3-5-12-4-1-2-6-18(12)16/h1-8H2,(H,11,13)(H,14,15).
What are the key properties of 2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid?
2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid has a molecular weight of 294.40 g/mol, XLogP of -0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[2-(1-oxothiazinan-2-yl)ethylamino]ethyl]sulfanylacetic acid is sourced from PubChem (CID 153346602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).