N-(3-ethylhex-5-en-3-yl)methanesulfonamide

C9H19NO2S — CID 134204123

IUPACN-(3-ethylhex-5-en-3-yl)methanesulfonamide
SMILESC=CCC(CC)(CC)NS(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-5-8-9(6-2,7-3)10-13(4,11)12/h5,10H,1,6-8H2,2-4H3
InChIKeySZIGEOWSOKPHFH-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.67
Rot. Bonds6

About N-(3-ethylhex-5-en-3-yl)methanesulfonamide

N-(3-ethylhex-5-en-3-yl)methanesulfonamide (PubChem CID 134204123) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(3-ethylhex-5-en-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-ethylhex-5-en-3-yl)methanesulfonamide
PubChem CID134204123
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(3-ethylhex-5-en-3-yl)methanesulfonamide
SMILESC=CCC(CC)(CC)NS(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-5-8-9(6-2,7-3)10-13(4,11)12/h5,10H,1,6-8H2,2-4H3
InChIKeySZIGEOWSOKPHFH-UHFFFAOYSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
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-(3-ethylhex-5-en-3-yl)methanesulfonamide?
The IUPAC name of N-(3-ethylhex-5-en-3-yl)methanesulfonamide (CID 134204123) is N-(3-ethylhex-5-en-3-yl)methanesulfonamide.
What is the SMILES notation for N-(3-ethylhex-5-en-3-yl)methanesulfonamide?
The canonical SMILES for N-(3-ethylhex-5-en-3-yl)methanesulfonamide is C=CCC(CC)(CC)NS(C)(=O)=O.
What is the InChIKey of N-(3-ethylhex-5-en-3-yl)methanesulfonamide?
The InChIKey is SZIGEOWSOKPHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-8-9(6-2,7-3)10-13(4,11)12/h5,10H,1,6-8H2,2-4H3.
What are the key properties of N-(3-ethylhex-5-en-3-yl)methanesulfonamide?
N-(3-ethylhex-5-en-3-yl)methanesulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylhex-5-en-3-yl)methanesulfonamide is sourced from PubChem (CID 134204123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).