N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide

C11H20N2O2S — CID 106222713

IUPACN-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide
SMILESC#CCCCNS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C11H20N2O2S/c1-2-3-4-8-13-16(14,15)10-11-6-5-7-12-9-11/h1,11-13H,3-10H2
InChIKeyFARXNVXKYRXIQT-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.32
Rot. Bonds6

About N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide

N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide (PubChem CID 106222713) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide
PubChem CID106222713
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide
SMILESC#CCCCNS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C11H20N2O2S/c1-2-3-4-8-13-16(14,15)10-11-6-5-7-12-9-11/h1,11-13H,3-10H2
InChIKeyFARXNVXKYRXIQT-UHFFFAOYSA-N
XLogP0.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
N-(2-cyclopentyloxyethyl)-1-piperidin-3-ylmethanesulfonamide
CID 63829038
1-piperidin-3-yl-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 54972057
N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 54972407
1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide
CID 113413001
1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride
CID 119979197
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 107164560
N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 114111424
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 114116779
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 55201911
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 55173705

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide (CID 106222713) is N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide is C#CCCCNS(=O)(=O)CC1CCCNC1.
What is the InChIKey of N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is FARXNVXKYRXIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-2-3-4-8-13-16(14,15)10-11-6-5-7-12-9-11/h1,11-13H,3-10H2.
What are the key properties of N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide?
N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 244.36 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 106222713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).