N-pent-4-ynylmethanesulfonamide

C6H11NO2S — CID 103698107

IUPACN-pent-4-ynylmethanesulfonamide
SMILESC#CCCCNS(C)(=O)=O
InChIInChI=1S/C6H11NO2S/c1-3-4-5-6-7-10(2,8)9/h1,7H,4-6H2,2H3
InChIKeyHWPOWQAUFFRPSS-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.05
Rot. Bonds4

About N-pent-4-ynylmethanesulfonamide

N-pent-4-ynylmethanesulfonamide (PubChem CID 103698107) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-pent-4-ynylmethanesulfonamide.

Molecular Properties

Compound NameN-pent-4-ynylmethanesulfonamide
PubChem CID103698107
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-pent-4-ynylmethanesulfonamide
SMILESC#CCCCNS(C)(=O)=O
InChIInChI=1S/C6H11NO2S/c1-3-4-5-6-7-10(2,8)9/h1,7H,4-6H2,2H3
InChIKeyHWPOWQAUFFRPSS-UHFFFAOYSA-N
XLogP-0.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynylmethanesulfonamide?
The IUPAC name of N-pent-4-ynylmethanesulfonamide (CID 103698107) is N-pent-4-ynylmethanesulfonamide.
What is the SMILES notation for N-pent-4-ynylmethanesulfonamide?
The canonical SMILES for N-pent-4-ynylmethanesulfonamide is C#CCCCNS(C)(=O)=O.
What is the InChIKey of N-pent-4-ynylmethanesulfonamide?
The InChIKey is HWPOWQAUFFRPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-3-4-5-6-7-10(2,8)9/h1,7H,4-6H2,2H3.
What are the key properties of N-pent-4-ynylmethanesulfonamide?
N-pent-4-ynylmethanesulfonamide has a molecular weight of 161.23 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynylmethanesulfonamide is sourced from PubChem (CID 103698107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).