2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

C8H17NO5S — CID 107851114

IUPAC2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESO=S1(=O)CCC(NC(CO)(CO)CO)C1
InChIInChI=1S/C8H17NO5S/c10-4-8(5-11,6-12)9-7-1-2-15(13,14)3-7/h7,9-12H,1-6H2
InChIKeyZACZJTBOLMKENI-UHFFFAOYSA-N
MW239.29 g/mol
LogP-2.52
Rot. Bonds5

About 2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107851114) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107851114
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Name2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESO=S1(=O)CCC(NC(CO)(CO)CO)C1
InChIInChI=1S/C8H17NO5S/c10-4-8(5-11,6-12)9-7-1-2-15(13,14)3-7/h7,9-12H,1-6H2
InChIKeyZACZJTBOLMKENI-UHFFFAOYSA-N
XLogP-2.52
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-2.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1,1-dioxothian-4-yl)amino]-2-ethylbutan-1-ol
CID 62519087
N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine
CID 103829133
3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol
CID 104862624
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
[2-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol
CID 104866380
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 107846359
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol
CID 61058037
3-[(1,1-dioxothian-3-yl)amino]-2,2-difluoropropan-1-ol
CID 104860393
[2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol
CID 131041538

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107851114) is 2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is O=S1(=O)CCC(NC(CO)(CO)CO)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is ZACZJTBOLMKENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c10-4-8(5-11,6-12)9-7-1-2-15(13,14)3-7/h7,9-12H,1-6H2.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 239.29 g/mol, XLogP of -2.52, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107851114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).