1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide

C11H21N3O4S — CID 71785464

IUPAC1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C11H21N3O4S/c1-19(16,17)14-8-10(9-14)11(15)12-2-3-13-4-6-18-7-5-13/h10H,2-9H2,1H3,(H,12,15)
InChIKeyCXRZQFLXSKFPIP-UHFFFAOYSA-N
MW291.37 g/mol
LogP-1.67
Rot. Bonds5

About 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide

1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide (PubChem CID 71785464) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide
PubChem CID71785464
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C11H21N3O4S/c1-19(16,17)14-8-10(9-14)11(15)12-2-3-13-4-6-18-7-5-13/h10H,2-9H2,1H3,(H,12,15)
InChIKeyCXRZQFLXSKFPIP-UHFFFAOYSA-N
XLogP-1.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide (CID 71785464) is 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide is CS(=O)(=O)N1CC(C(=O)NCCN2CCOCC2)C1.
What is the InChIKey of 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide?
The InChIKey is CXRZQFLXSKFPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-19(16,17)14-8-10(9-14)11(15)12-2-3-13-4-6-18-7-5-13/h10H,2-9H2,1H3,(H,12,15).
What are the key properties of 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide?
1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide has a molecular weight of 291.37 g/mol, XLogP of -1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)azetidine-3-carboxamide is sourced from PubChem (CID 71785464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).