N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide

C16H27N3O4S — CID 156603357

IUPACN-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCS(=O)(=O)N1CC(NC(=O)CN2CCCCCC2=O)C(C2CC2)C1
InChIInChI=1S/C16H27N3O4S/c1-24(22,23)19-9-13(12-6-7-12)14(10-19)17-15(20)11-18-8-4-2-3-5-16(18)21/h12-14H,2-11H2,1H3,(H,17,20)
InChIKeyACDGQOUIJYDBSK-UHFFFAOYSA-N
MW357.48 g/mol
LogP0.18
Rot. Bonds5

About N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide

N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 156603357) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide
PubChem CID156603357
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC NameN-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCS(=O)(=O)N1CC(NC(=O)CN2CCCCCC2=O)C(C2CC2)C1
InChIInChI=1S/C16H27N3O4S/c1-24(22,23)19-9-13(12-6-7-12)14(10-19)17-15(20)11-18-8-4-2-3-5-16(18)21/h12-14H,2-11H2,1H3,(H,17,20)
InChIKeyACDGQOUIJYDBSK-UHFFFAOYSA-N
XLogP0.18
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
CID 104956817
2-(2-oxopiperidin-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 78864876
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 131944173
N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide
CID 119602522
N-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide
CID 133138396
3-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030936
N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 96529679
2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119451455
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119478869
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 93451570

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide (CID 156603357) is N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide is CS(=O)(=O)N1CC(NC(=O)CN2CCCCCC2=O)C(C2CC2)C1.
What is the InChIKey of N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is ACDGQOUIJYDBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-24(22,23)19-9-13(12-6-7-12)14(10-19)17-15(20)11-18-8-4-2-3-5-16(18)21/h12-14H,2-11H2,1H3,(H,17,20).
What are the key properties of N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide?
N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 357.48 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 156603357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).