N-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide

C10H19NO5S2 — CID 66170500

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
SMILESCC(O)(CO)CNC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO5S2/c1-10(14,7-12)6-11-9(13)4-17-8-2-3-18(15,16)5-8/h8,12,14H,2-7H2,1H3,(H,11,13)
InChIKeyOEGFKTOBQDWSQN-UHFFFAOYSA-N
MW297.40 g/mol
LogP-1.23
Rot. Bonds6

About N-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide

N-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide (PubChem CID 66170500) has the molecular formula C10H19NO5S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
PubChem CID66170500
Molecular FormulaC10H19NO5S2
Molecular Weight297.40 g/mol
Exact Mass297.07
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
SMILESCC(O)(CO)CNC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO5S2/c1-10(14,7-12)6-11-9(13)4-17-8-2-3-18(15,16)5-8/h8,12,14H,2-7H2,1H3,(H,11,13)
InChIKeyOEGFKTOBQDWSQN-UHFFFAOYSA-N
XLogP-1.23
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide (CID 66170500) is N-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide is CC(O)(CO)CNC(=O)CSC1CCS(=O)(=O)C1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The InChIKey is OEGFKTOBQDWSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S2/c1-10(14,7-12)6-11-9(13)4-17-8-2-3-18(15,16)5-8/h8,12,14H,2-7H2,1H3,(H,11,13).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
N-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide has a molecular weight of 297.40 g/mol, XLogP of -1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide is sourced from PubChem (CID 66170500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).