2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide

C13H24N2O3S — CID 99850023

IUPAC2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide
SMILESCN(C(=O)CC1(N)CCC1)[C@@H]1CCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C13H24N2O3S/c1-15(12(16)9-13(14)7-4-8-13)10-5-3-6-11(10)19(2,17)18/h10-11H,3-9,14H2,1-2H3/t10-,11-/m1/s1
InChIKeyXBBXMZUWEXTNLR-GHMZBOCLSA-N
MW288.41 g/mol
LogP0.68
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide

2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide (PubChem CID 99850023) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide
PubChem CID99850023
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide
SMILESCN(C(=O)CC1(N)CCC1)[C@@H]1CCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C13H24N2O3S/c1-15(12(16)9-13(14)7-4-8-13)10-5-3-6-11(10)19(2,17)18/h10-11H,3-9,14H2,1-2H3/t10-,11-/m1/s1
InChIKeyXBBXMZUWEXTNLR-GHMZBOCLSA-N
XLogP0.68
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclobutyl)-N-methyl-N-(2-methylsulfonylcyclopentyl)acetamide
CID 91659756
2-(1-aminocyclobutyl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102632099
2-(1-aminocyclopentyl)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 64685881
2-(1-aminocyclopentyl)-N-cyclohexyl-N-methylacetamide
CID 64684539
N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide
CID 124856790
2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride
CID 119803165
3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea
CID 96535798
2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide
CID 96998024
3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride
CID 120611307
2-(1-aminocyclopentyl)-N-methyl-N-propan-2-ylacetamide
CID 64684739
3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119803169
4-[methyl-(2-methylsulfonylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673871

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide (CID 99850023) is 2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide is CN(C(=O)CC1(N)CCC1)[C@@H]1CCC[C@H]1S(C)(=O)=O.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide?
The InChIKey is XBBXMZUWEXTNLR-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-15(12(16)9-13(14)7-4-8-13)10-5-3-6-11(10)19(2,17)18/h10-11H,3-9,14H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of 2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide?
2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide has a molecular weight of 288.41 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide is sourced from PubChem (CID 99850023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).