N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C11H20N2O4S — CID 78942456

IUPACN-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1CO)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O4S/c14-7-10-2-1-4-13(10)6-11(15)12-9-3-5-18(16,17)8-9/h9-10,14H,1-8H2,(H,12,15)/t9?,10-/m0/s1
InChIKeyCBTFMTLSGQBOMH-AXDSSHIGSA-N
MW276.36 g/mol
LogP-1.25
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 78942456) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID78942456
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1CO)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O4S/c14-7-10-2-1-4-13(10)6-11(15)12-9-3-5-18(16,17)8-9/h9-10,14H,1-8H2,(H,12,15)/t9?,10-/m0/s1
InChIKeyCBTFMTLSGQBOMH-AXDSSHIGSA-N
XLogP-1.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441841
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942542
N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942509
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 66260988
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 78942440
2-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 124732262
N-(1,1-dioxothiolan-3-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225582
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 62014731
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 78942177
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 51170868
N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62656194
N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672633

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 78942456) is N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCC[C@H]1CO)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is CBTFMTLSGQBOMH-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20N2O4S/c14-7-10-2-1-4-13(10)6-11(15)12-9-3-5-18(16,17)8-9/h9-10,14H,1-8H2,(H,12,15)/t9?,10-/m0/s1.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 276.36 g/mol, XLogP of -1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 78942456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).