N,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide

C11H22N2O5S — CID 90513004

IUPACN,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O5S/c1-17-6-4-12(5-7-18-2)11(14)10-8-13(9-10)19(3,15)16/h10H,4-9H2,1-3H3
InChIKeyHGRQWLNMJKGHFF-UHFFFAOYSA-N
MW294.37 g/mol
LogP-1.00
Rot. Bonds8

About N,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide

N,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 90513004) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide
PubChem CID90513004
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC NameN,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O5S/c1-17-6-4-12(5-7-18-2)11(14)10-8-13(9-10)19(3,15)16/h10H,4-9H2,1-3H3
InChIKeyHGRQWLNMJKGHFF-UHFFFAOYSA-N
XLogP-1.00
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide (CID 90513004) is N,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide is COCCN(CCOC)C(=O)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is HGRQWLNMJKGHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-17-6-4-12(5-7-18-2)11(14)10-8-13(9-10)19(3,15)16/h10H,4-9H2,1-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide?
N,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 294.37 g/mol, XLogP of -1.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 90513004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).