N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

C9H18N2O5S — CID 80520759

IUPACN-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCC(O)CO
InChIInChI=1S/C9H18N2O5S/c12-5-8(13)4-11-9(14)3-7-6-17(15,16)2-1-10-7/h7-8,10,12-13H,1-6H2,(H,11,14)
InChIKeyZVOYGWCAQNPRKA-UHFFFAOYSA-N
MW266.32 g/mol
LogP-2.77
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 80520759) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID80520759
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC NameN-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCC(O)CO
InChIInChI=1S/C9H18N2O5S/c12-5-8(13)4-11-9(14)3-7-6-17(15,16)2-1-10-7/h7-8,10,12-13H,1-6H2,(H,11,14)
InChIKeyZVOYGWCAQNPRKA-UHFFFAOYSA-N
XLogP-2.77
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-2.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 107221082
N-(2,2-dimethoxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520002
3-[[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]methyl]pentanoic acid
CID 81072350
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80520223
methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
CID 80520066
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519987
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide
CID 115568056
N-(2,2-dimethylbutyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 103461661
N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520375
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pent-4-ynylacetamide
CID 114160164
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 80520764

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 80520759) is N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is O=C(CC1CS(=O)(=O)CCN1)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is ZVOYGWCAQNPRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c12-5-8(13)4-11-9(14)3-7-6-17(15,16)2-1-10-7/h7-8,10,12-13H,1-6H2,(H,11,14).
What are the key properties of N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 266.32 g/mol, XLogP of -2.77, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 80520759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).