N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide

C12H22N2O4S — CID 55230925

IUPACN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O4S/c1-9-6-13-7-11(9)12(16)14(3-4-15)10-2-5-19(17,18)8-10/h9-11,13,15H,2-8H2,1H3
InChIKeyUMMUQAIPKDRWDQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP-1.15
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 55230925) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID55230925
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O4S/c1-9-6-13-7-11(9)12(16)14(3-4-15)10-2-5-19(17,18)8-10/h9-11,13,15H,2-8H2,1H3
InChIKeyUMMUQAIPKDRWDQ-UHFFFAOYSA-N
XLogP-1.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide (CID 55230925) is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)N(CCO)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is UMMUQAIPKDRWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-9-6-13-7-11(9)12(16)14(3-4-15)10-2-5-19(17,18)8-10/h9-11,13,15H,2-8H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of -1.15, 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)-N-(2-hydroxyethyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55230925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).