N-methyl-N-(4-methylhex-5-enyl)methanesulfonamide

C9H19NO2S — CID 88991755

IUPACN-methyl-N-(4-methylhex-5-enyl)methanesulfonamide
SMILESC=CC(C)CCCN(C)S(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-5-9(2)7-6-8-10(3)13(4,11)12/h5,9H,1,6-8H2,2-4H3
InChIKeyFWCHOBZSDVHEMU-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.48
Rot. Bonds6

About N-methyl-N-(4-methylhex-5-enyl)methanesulfonamide

N-methyl-N-(4-methylhex-5-enyl)methanesulfonamide (PubChem CID 88991755) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-methyl-N-(4-methylhex-5-enyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylhex-5-enyl)methanesulfonamide
PubChem CID88991755
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-methyl-N-(4-methylhex-5-enyl)methanesulfonamide
SMILESC=CC(C)CCCN(C)S(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-5-9(2)7-6-8-10(3)13(4,11)12/h5,9H,1,6-8H2,2-4H3
InChIKeyFWCHOBZSDVHEMU-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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-methyl-N-(4-methylhex-5-enyl)methanesulfonamide?
The IUPAC name of N-methyl-N-(4-methylhex-5-enyl)methanesulfonamide (CID 88991755) is N-methyl-N-(4-methylhex-5-enyl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-(4-methylhex-5-enyl)methanesulfonamide?
The canonical SMILES for N-methyl-N-(4-methylhex-5-enyl)methanesulfonamide is C=CC(C)CCCN(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(4-methylhex-5-enyl)methanesulfonamide?
The InChIKey is FWCHOBZSDVHEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-9(2)7-6-8-10(3)13(4,11)12/h5,9H,1,6-8H2,2-4H3.
What are the key properties of N-methyl-N-(4-methylhex-5-enyl)methanesulfonamide?
N-methyl-N-(4-methylhex-5-enyl)methanesulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylhex-5-enyl)methanesulfonamide is sourced from PubChem (CID 88991755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).