N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide

C12H23N3O3S — CID 79854784

IUPACN-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)CC2(N)CCC2)C1
InChIInChI=1S/C12H23N3O3S/c1-19(17,18)14-10-4-2-7-15(9-10)11(16)8-12(13)5-3-6-12/h10,14H,2-9,13H2,1H3
InChIKeyHVMVOSRTCPEBCZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.20
Rot. Bonds4

About N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide

N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide (PubChem CID 79854784) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide
PubChem CID79854784
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)CC2(N)CCC2)C1
InChIInChI=1S/C12H23N3O3S/c1-19(17,18)14-10-4-2-7-15(9-10)11(16)8-12(13)5-3-6-12/h10,14H,2-9,13H2,1H3
InChIKeyHVMVOSRTCPEBCZ-UHFFFAOYSA-N
XLogP-0.20
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]acetamide
CID 124516868
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
2-(1-aminocyclopentyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 64683579
3-[3-(methanesulfonamido)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834840
N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide
CID 62490631
N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide
CID 166310642
N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide
CID 65227685
3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid
CID 81046858
2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79854762
N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 154838972
2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 107217433
N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 95150282

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide (CID 79854784) is N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)CC2(N)CCC2)C1.
What is the InChIKey of N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is HVMVOSRTCPEBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-19(17,18)14-10-4-2-7-15(9-10)11(16)8-12(13)5-3-6-12/h10,14H,2-9,13H2,1H3.
What are the key properties of N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide?
N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 289.40 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 79854784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).