N-pent-4-enylmethanesulfonamide

C6H13NO2S — CID 15267597

IUPACN-pent-4-enylmethanesulfonamide
SMILESC=CCCCNS(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-3-4-5-6-7-10(2,8)9/h3,7H,1,4-6H2,2H3
InChIKeyQJSPFKRJYJLMQP-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.50
Rot. Bonds5

About N-pent-4-enylmethanesulfonamide

N-pent-4-enylmethanesulfonamide (PubChem CID 15267597) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-pent-4-enylmethanesulfonamide.

Molecular Properties

Compound NameN-pent-4-enylmethanesulfonamide
PubChem CID15267597
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-pent-4-enylmethanesulfonamide
SMILESC=CCCCNS(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-3-4-5-6-7-10(2,8)9/h3,7H,1,4-6H2,2H3
InChIKeyQJSPFKRJYJLMQP-UHFFFAOYSA-N
XLogP0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Allylmethanesulfonamide
CID 4675024
N-ethylbut-3-ene-1-sulfonamide
CID 130725638
N-but-3-enylprop-2-ene-1-sulfonamide
CID 116033650
N-[(E)-hept-4-enyl]methanesulfonamide
CID 134862066
N-pent-4-enylbut-3-ene-1-sulfonamide
CID 155931513
N-(4-Pentenyl)-alpha,alpha,alpha-trifluoromethanesulfonamide
CID 11096044
N-butylprop-2-ene-1-sulfonamide
CID 53773127
N-ethylbut-1-ene-1-sulfonamide
CID 57201047
1-Aminopent-4-ene-1-sulfonamide
CID 87987681
(E)-N-ethylbut-1-ene-1-sulfonamide
CID 89021419
N-[(1R,2S)-2-ethenylcyclopropyl]methanesulfonamide
CID 89149079
N-but-3-en-2-ylmethanesulfonamide
CID 90248426

Frequently Asked Questions

What is the IUPAC name of N-pent-4-enylmethanesulfonamide?
The IUPAC name of N-pent-4-enylmethanesulfonamide (CID 15267597) is N-pent-4-enylmethanesulfonamide.
What is the SMILES notation for N-pent-4-enylmethanesulfonamide?
The canonical SMILES for N-pent-4-enylmethanesulfonamide is C=CCCCNS(C)(=O)=O.
What is the InChIKey of N-pent-4-enylmethanesulfonamide?
The InChIKey is QJSPFKRJYJLMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-4-5-6-7-10(2,8)9/h3,7H,1,4-6H2,2H3.
What are the key properties of N-pent-4-enylmethanesulfonamide?
N-pent-4-enylmethanesulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-enylmethanesulfonamide is sourced from PubChem (CID 15267597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).