N,N-bis(pent-4-enyl)methanesulfonamide

C11H21NO2S — CID 155624324

IUPACN,N-bis(pent-4-enyl)methanesulfonamide
SMILESC=CCCCN(CCCC=C)S(C)(=O)=O
InChIInChI=1S/C11H21NO2S/c1-4-6-8-10-12(15(3,13)14)11-9-7-5-2/h4-5H,1-2,6-11H2,3H3
InChIKeyQFBHNXSBPUXAGE-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.18
Rot. Bonds9

About N,N-bis(pent-4-enyl)methanesulfonamide

N,N-bis(pent-4-enyl)methanesulfonamide (PubChem CID 155624324) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N,N-bis(pent-4-enyl)methanesulfonamide.

Molecular Properties

Compound NameN,N-bis(pent-4-enyl)methanesulfonamide
PubChem CID155624324
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN,N-bis(pent-4-enyl)methanesulfonamide
SMILESC=CCCCN(CCCC=C)S(C)(=O)=O
InChIInChI=1S/C11H21NO2S/c1-4-6-8-10-12(15(3,13)14)11-9-7-5-2/h4-5H,1-2,6-11H2,3H3
InChIKeyQFBHNXSBPUXAGE-UHFFFAOYSA-N
XLogP2.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
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-methyl-N-pent-4-enylmethanesulfonamide
CID 115640453
N,N-bis(3-hydroxypropyl)methanesulfonamide
CID 20746482
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
ethane;N-methyl-N-pent-4-enylacetamide
CID 143214157
N-(cyanomethyl)-1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide
CID 162534763
N-methyl-N-pent-4-enylpropanamide
CID 115640317
N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide
CID 135036402
N-pent-4-enyl-N-trimethylsilylacetamide
CID 10058602
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide
CID 58837153
N-butyl-N-methyl-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148121
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide
CID 113065281
5-[methyl(pent-4-enyl)sulfamoyl]thiophene-3-carboxylic acid
CID 113437786

Frequently Asked Questions

What is the IUPAC name of N,N-bis(pent-4-enyl)methanesulfonamide?
The IUPAC name of N,N-bis(pent-4-enyl)methanesulfonamide (CID 155624324) is N,N-bis(pent-4-enyl)methanesulfonamide.
What is the SMILES notation for N,N-bis(pent-4-enyl)methanesulfonamide?
The canonical SMILES for N,N-bis(pent-4-enyl)methanesulfonamide is C=CCCCN(CCCC=C)S(C)(=O)=O.
What is the InChIKey of N,N-bis(pent-4-enyl)methanesulfonamide?
The InChIKey is QFBHNXSBPUXAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-4-6-8-10-12(15(3,13)14)11-9-7-5-2/h4-5H,1-2,6-11H2,3H3.
What are the key properties of N,N-bis(pent-4-enyl)methanesulfonamide?
N,N-bis(pent-4-enyl)methanesulfonamide has a molecular weight of 231.36 g/mol, XLogP of 2.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(pent-4-enyl)methanesulfonamide is sourced from PubChem (CID 155624324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).