N-(5-methylheptyl)methanesulfonamide

C9H21NO2S — CID 166976444

IUPACN-(5-methylheptyl)methanesulfonamide
SMILESCCC(C)CCCCNS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-4-9(2)7-5-6-8-10-13(3,11)12/h9-10H,4-8H2,1-3H3
InChIKeyOHZZCLLANXIKOG-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds7

About N-(5-methylheptyl)methanesulfonamide

N-(5-methylheptyl)methanesulfonamide (PubChem CID 166976444) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(5-methylheptyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-methylheptyl)methanesulfonamide
PubChem CID166976444
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(5-methylheptyl)methanesulfonamide
SMILESCCC(C)CCCCNS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-4-9(2)7-5-6-8-10-13(3,11)12/h9-10H,4-8H2,1-3H3
InChIKeyOHZZCLLANXIKOG-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptyl)methanesulfonamide?
The IUPAC name of N-(5-methylheptyl)methanesulfonamide (CID 166976444) is N-(5-methylheptyl)methanesulfonamide.
What is the SMILES notation for N-(5-methylheptyl)methanesulfonamide?
The canonical SMILES for N-(5-methylheptyl)methanesulfonamide is CCC(C)CCCCNS(C)(=O)=O.
What is the InChIKey of N-(5-methylheptyl)methanesulfonamide?
The InChIKey is OHZZCLLANXIKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-9(2)7-5-6-8-10-13(3,11)12/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(5-methylheptyl)methanesulfonamide?
N-(5-methylheptyl)methanesulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptyl)methanesulfonamide is sourced from PubChem (CID 166976444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).