N-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide

C9H19NO2S — CID 121274587

IUPACN-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide
SMILESC=C(C)CCCN(CC)S(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-5-10(13(4,11)12)8-6-7-9(2)3/h2,5-8H2,1,3-4H3
InChIKeyMRONWNCAUDXGJL-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.62
Rot. Bonds6

About N-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide

N-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide (PubChem CID 121274587) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide
PubChem CID121274587
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide
SMILESC=C(C)CCCN(CC)S(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-5-10(13(4,11)12)8-6-7-9(2)3/h2,5-8H2,1,3-4H3
InChIKeyMRONWNCAUDXGJL-UHFFFAOYSA-N
XLogP1.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide?
The IUPAC name of N-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide (CID 121274587) is N-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide?
The canonical SMILES for N-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide is C=C(C)CCCN(CC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide?
The InChIKey is MRONWNCAUDXGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-10(13(4,11)12)8-6-7-9(2)3/h2,5-8H2,1,3-4H3.
What are the key properties of N-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide?
N-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methylpent-4-enyl)methanesulfonamide is sourced from PubChem (CID 121274587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).