2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide

C9H19N3O3S — CID 79851894

IUPAC2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCS(=O)(=O)NCCNC(=O)CC1(N)CCC1
InChIInChI=1S/C9H19N3O3S/c1-16(14,15)12-6-5-11-8(13)7-9(10)3-2-4-9/h12H,2-7,10H2,1H3,(H,11,13)
InChIKeySRHYNNYCAYLGJY-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.08
Rot. Bonds6

About 2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide

2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide (PubChem CID 79851894) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide
PubChem CID79851894
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCS(=O)(=O)NCCNC(=O)CC1(N)CCC1
InChIInChI=1S/C9H19N3O3S/c1-16(14,15)12-6-5-11-8(13)7-9(10)3-2-4-9/h12H,2-7,10H2,1H3,(H,11,13)
InChIKeySRHYNNYCAYLGJY-UHFFFAOYSA-N
XLogP-1.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclobutyl)-N-(2-aminoethyl)acetamide
CID 79853853
2-(1-aminocyclobutyl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83112019
1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43546068
2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071499
2-(1-aminocyclopentyl)-N-(2-sulfamoylethyl)acetamide
CID 64686169
2-(1-aminocyclopentyl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide
CID 79551122
3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide
CID 79853865
2-(1-aminocyclopentyl)-N-pentylacetamide
CID 64684132
2-(1-aminocyclopentyl)-N-(2-methylsulfanylethyl)acetamide
CID 64679274
2-(1-aminocyclobutyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 79854561
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methanesulfonamido)propyl]acetamide
CID 104844350
2-(1-aminocyclobutyl)-N-(7-methyloctyl)acetamide
CID 79854287

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide (CID 79851894) is 2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide is CS(=O)(=O)NCCNC(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide?
The InChIKey is SRHYNNYCAYLGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-16(14,15)12-6-5-11-8(13)7-9(10)3-2-4-9/h12H,2-7,10H2,1H3,(H,11,13).
What are the key properties of 2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide?
2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide has a molecular weight of 249.34 g/mol, XLogP of -1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide is sourced from PubChem (CID 79851894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).