1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide

C11H20N2O2S2 — CID 106430217

IUPAC1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide
SMILESC#CCSCCNS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C11H20N2O2S2/c1-2-8-16-9-7-13-17(14,15)10-11-3-5-12-6-4-11/h1,11-13H,3-10H2
InChIKeyTXYJUWBTXOYOJN-UHFFFAOYSA-N
MW276.43 g/mol
LogP0.27
Rot. Bonds7

About 1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide

1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide (PubChem CID 106430217) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide
PubChem CID106430217
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide
SMILESC#CCSCCNS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C11H20N2O2S2/c1-2-8-16-9-7-13-17(14,15)10-11-3-5-12-6-4-11/h1,11-13H,3-10H2
InChIKeyTXYJUWBTXOYOJN-UHFFFAOYSA-N
XLogP0.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)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

2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427974
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62989954
1-cyano-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide
CID 103850456
N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide
CID 54974104
2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 114187551
N-but-3-yn-2-yl-1-piperidin-4-ylmethanesulfonamide
CID 114418202
3-(2-prop-2-ynylsulfanylethylsulfamoyl)propanoic acid
CID 106426890
N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide
CID 62617015
1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide
CID 106013582
N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide
CID 106222713
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide
CID 83120440
N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-4-ylmethanesulfonamide
CID 114116782

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide?
The IUPAC name of 1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide (CID 106430217) is 1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide?
The canonical SMILES for 1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide is C#CCSCCNS(=O)(=O)CC1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide?
The InChIKey is TXYJUWBTXOYOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-2-8-16-9-7-13-17(14,15)10-11-3-5-12-6-4-11/h1,11-13H,3-10H2.
What are the key properties of 1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide?
1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide has a molecular weight of 276.43 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide is sourced from PubChem (CID 106430217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).