N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide

C11H23N3O3S2 — CID 106336452

IUPACN-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCS(=O)(=O)NCCCNC(=O)CSC1CCNCC1
InChIInChI=1S/C11H23N3O3S2/c1-19(16,17)14-6-2-5-13-11(15)9-18-10-3-7-12-8-4-10/h10,12,14H,2-9H2,1H3,(H,13,15)
InChIKeyFLFOFOFGPMJWQS-UHFFFAOYSA-N
MW309.46 g/mol
LogP-0.47
Rot. Bonds8

About N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide

N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 106336452) has the molecular formula C11H23N3O3S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID106336452
Molecular FormulaC11H23N3O3S2
Molecular Weight309.46 g/mol
Exact Mass309.12
IUPAC NameN-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCS(=O)(=O)NCCCNC(=O)CSC1CCNCC1
InChIInChI=1S/C11H23N3O3S2/c1-19(16,17)14-6-2-5-13-11(15)9-18-10-3-7-12-8-4-10/h10,12,14H,2-9H2,1H3,(H,13,15)
InChIKeyFLFOFOFGPMJWQS-UHFFFAOYSA-N
XLogP-0.47
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide 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-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide
CID 107842483
5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide
CID 106235677
N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide
CID 106161364
N-(2-methylsulfinylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628071
2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide
CID 103307451
N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110
N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627443
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 114187551
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627230
N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide
CID 114626598
N-(5-hydroxy-2,2-dimethylpentyl)-2-piperidin-4-ylsulfanylacetamide
CID 106148182

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide (CID 106336452) is N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide is CS(=O)(=O)NCCCNC(=O)CSC1CCNCC1.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is FLFOFOFGPMJWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S2/c1-19(16,17)14-6-2-5-13-11(15)9-18-10-3-7-12-8-4-10/h10,12,14H,2-9H2,1H3,(H,13,15).
What are the key properties of N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide?
N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 309.46 g/mol, XLogP of -0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 106336452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).