1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide

C17H32N4O5S — CID 110199822

IUPAC1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCCN2CCOCC2)CCNC(=O)CC1
InChIInChI=1S/C17H32N4O5S/c1-27(24,25)21-8-2-3-15(4-6-18-16(22)5-9-21)17(23)19-7-10-20-11-13-26-14-12-20/h15H,2-14H2,1H3,(H,18,22)(H,19,23)
InChIKeyIAGKUFVZVPUUKQ-UHFFFAOYSA-N
MW404.53 g/mol
LogP-1.00
Rot. Bonds5

About 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide

1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide (PubChem CID 110199822) has the molecular formula C17H32N4O5S and a molecular weight of 404.53 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
PubChem CID110199822
Molecular FormulaC17H32N4O5S
Molecular Weight404.53 g/mol
Exact Mass404.21
IUPAC Name1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCCN2CCOCC2)CCNC(=O)CC1
InChIInChI=1S/C17H32N4O5S/c1-27(24,25)21-8-2-3-15(4-6-18-16(22)5-9-21)17(23)19-7-10-20-11-13-26-14-12-20/h15H,2-14H2,1H3,(H,18,22)(H,19,23)
InChIKeyIAGKUFVZVPUUKQ-UHFFFAOYSA-N
XLogP-1.00
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110199806
1-methylsulfonyl-4-oxo-N-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199768
1-benzoyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110200013
N-(3-morpholin-4-ylpropyl)-4-oxo-1-(pyridin-3-ylmethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199564
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160
N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110199988
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
1-(benzenesulfonyl)-N-(3-methylbutyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110199905
(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
CID 125446683
(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92696521
1-(1-methylimidazol-4-yl)sulfonyl-4-oxo-N-(2-pyridin-2-ylethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199977
1-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 100780680

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide (CID 110199822) is 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NCCN2CCOCC2)CCNC(=O)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide?
The InChIKey is IAGKUFVZVPUUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O5S/c1-27(24,25)21-8-2-3-15(4-6-18-16(22)5-9-21)17(23)19-7-10-20-11-13-26-14-12-20/h15H,2-14H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide?
1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide has a molecular weight of 404.53 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide is sourced from PubChem (CID 110199822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).