N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide

C10H21NO2S — CID 118884467

IUPACN-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide
SMILESCC/C=C/CCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-5-6-7-8-9-10(2,3)11-14(4,12)13/h6-7,11H,5,8-9H2,1-4H3/b7-6+
InChIKeyMNMRNEFYDBHRJP-VOTSOKGWSA-N
MW219.35 g/mol
LogP2.06
Rot. Bonds6

About N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide

N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide (PubChem CID 118884467) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide
PubChem CID118884467
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide
SMILESCC/C=C/CCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-5-6-7-8-9-10(2,3)11-14(4,12)13/h6-7,11H,5,8-9H2,1-4H3/b7-6+
InChIKeyMNMRNEFYDBHRJP-VOTSOKGWSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.06
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-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide?
The IUPAC name of N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide (CID 118884467) is N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide?
The canonical SMILES for N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide is CC/C=C/CCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide?
The InChIKey is MNMRNEFYDBHRJP-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-6-7-8-9-10(2,3)11-14(4,12)13/h6-7,11H,5,8-9H2,1-4H3/b7-6+.
What are the key properties of N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide?
N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide has a molecular weight of 219.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide is sourced from PubChem (CID 118884467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).