N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide

C11H20N2O4S — CID 114760219

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
SMILESCN(CC1(O)CCNC1)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O4S/c1-13(8-11(15)3-4-12-7-11)10(14)9-2-5-18(16,17)6-9/h9,12,15H,2-8H2,1H3
InChIKeyAPIOKRJLZKWNOR-UHFFFAOYSA-N
MW276.36 g/mol
LogP-1.40
Rot. Bonds3

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide (PubChem CID 114760219) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
PubChem CID114760219
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
SMILESCN(CC1(O)CCNC1)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O4S/c1-13(8-11(15)3-4-12-7-11)10(14)9-2-5-18(16,17)6-9/h9,12,15H,2-8H2,1H3
InChIKeyAPIOKRJLZKWNOR-UHFFFAOYSA-N
XLogP-1.40
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114760359
N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 114948903
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 64905780
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 79652406
N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 49343158
4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114951146
N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpiperidine-3-carboxamide
CID 114949603
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide
CID 114873917
1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride
CID 119826248
N-cyclopropyl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide
CID 114761074
N-ethyl-1,1-dioxo-N-pyrrolidin-3-ylthiolane-3-carboxamide
CID 63299474
1-[(1,1-dioxothiolane-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120540077

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide (CID 114760219) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide is CN(CC1(O)CCNC1)C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide?
The InChIKey is APIOKRJLZKWNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-13(8-11(15)3-4-12-7-11)10(14)9-2-5-18(16,17)6-9/h9,12,15H,2-8H2,1H3.
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of -1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 114760219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).