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

C8H17NO2S — CID 23563453

IUPACN-(5-methylhex-5-enyl)methanesulfonamide
SMILESC=C(C)CCCCNS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-8(2)6-4-5-7-9-12(3,10)11/h9H,1,4-7H2,2-3H3
InChIKeyRHTVNBZORYWQLR-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.28
Rot. Bonds6

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

N-(5-methylhex-5-enyl)methanesulfonamide (PubChem CID 23563453) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(5-methylhex-5-enyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-methylhex-5-enyl)methanesulfonamide
PubChem CID23563453
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(5-methylhex-5-enyl)methanesulfonamide
SMILESC=C(C)CCCCNS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-8(2)6-4-5-7-9-12(3,10)11/h9H,1,4-7H2,2-3H3
InChIKeyRHTVNBZORYWQLR-UHFFFAOYSA-N
XLogP1.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
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-[2-(1-cyclohexen-1-yl)ethyl]methanesulfonamide
CID 3246760
N-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide
CID 91004606
N-(5-methylhex-4-enyl)methanesulfonamide
CID 166441657
N-(3-methylidenecyclohexyl)propane-2-sulfonamide
CID 90710783
N-(3-methylidenecyclohexyl)ethanesulfonamide
CID 90805781
N-(2-methylidenecyclohexyl)methanesulfonamide
CID 91087839
N-(4-methylidenecyclohexyl)methanesulfonamide
CID 91298182
N-butyl-4-methylidenecyclohexane-1-sulfonamide
CID 91371408
N-(3-methylidenecyclohexyl)methanesulfonamide
CID 91471248
N-ethyl-3-methylidenecyclohexane-1-sulfonamide
CID 91571228
N-(3,3,4-trimethylpent-4-enyl)methanesulfonamide
CID 121481055
N-(3-methylbut-3-enyl)methanesulfonamide
CID 131006885

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhex-5-enyl)methanesulfonamide?
The IUPAC name of N-(5-methylhex-5-enyl)methanesulfonamide (CID 23563453) is N-(5-methylhex-5-enyl)methanesulfonamide.
What is the SMILES notation for N-(5-methylhex-5-enyl)methanesulfonamide?
The canonical SMILES for N-(5-methylhex-5-enyl)methanesulfonamide is C=C(C)CCCCNS(C)(=O)=O.
What is the InChIKey of N-(5-methylhex-5-enyl)methanesulfonamide?
The InChIKey is RHTVNBZORYWQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2)6-4-5-7-9-12(3,10)11/h9H,1,4-7H2,2-3H3.
What are the key properties of N-(5-methylhex-5-enyl)methanesulfonamide?
N-(5-methylhex-5-enyl)methanesulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhex-5-enyl)methanesulfonamide is sourced from PubChem (CID 23563453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).