N-ethyl-N-heptylmethanesulfonamide

C10H23NO2S — CID 91715475

IUPACN-ethyl-N-heptylmethanesulfonamide
SMILESCCCCCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-4-6-7-8-9-10-11(5-2)14(3,12)13/h4-10H2,1-3H3
InChIKeySPVNJZUGCVYGNQ-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.24
Rot. Bonds8

About N-ethyl-N-heptylmethanesulfonamide

N-ethyl-N-heptylmethanesulfonamide (PubChem CID 91715475) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-ethyl-N-heptylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-heptylmethanesulfonamide
PubChem CID91715475
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-ethyl-N-heptylmethanesulfonamide
SMILESCCCCCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-4-6-7-8-9-10-11(5-2)14(3,12)13/h4-10H2,1-3H3
InChIKeySPVNJZUGCVYGNQ-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
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-ethyl-N-heptylmethanesulfonamide?
The IUPAC name of N-ethyl-N-heptylmethanesulfonamide (CID 91715475) is N-ethyl-N-heptylmethanesulfonamide.
What is the SMILES notation for N-ethyl-N-heptylmethanesulfonamide?
The canonical SMILES for N-ethyl-N-heptylmethanesulfonamide is CCCCCCCN(CC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-heptylmethanesulfonamide?
The InChIKey is SPVNJZUGCVYGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-4-6-7-8-9-10-11(5-2)14(3,12)13/h4-10H2,1-3H3.
What are the key properties of N-ethyl-N-heptylmethanesulfonamide?
N-ethyl-N-heptylmethanesulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-heptylmethanesulfonamide is sourced from PubChem (CID 91715475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).