N,N-dihexylmethanesulfonamide

C13H29NO2S — CID 533126

IUPACN,N-dihexylmethanesulfonamide
SMILESCCCCCCN(CCCCCC)S(C)(=O)=O
InChIInChI=1S/C13H29NO2S/c1-4-6-8-10-12-14(17(3,15)16)13-11-9-7-5-2/h4-13H2,1-3H3
InChIKeyDRSQXCLVVHQBIB-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.41
Rot. Bonds11

About N,N-dihexylmethanesulfonamide

N,N-dihexylmethanesulfonamide (PubChem CID 533126) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N,N-dihexylmethanesulfonamide.

Molecular Properties

Compound NameN,N-dihexylmethanesulfonamide
PubChem CID533126
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN,N-dihexylmethanesulfonamide
SMILESCCCCCCN(CCCCCC)S(C)(=O)=O
InChIInChI=1S/C13H29NO2S/c1-4-6-8-10-12-14(17(3,15)16)13-11-9-7-5-2/h4-13H2,1-3H3
InChIKeyDRSQXCLVVHQBIB-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.41
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,N-dihexylmethanesulfonamide?
The IUPAC name of N,N-dihexylmethanesulfonamide (CID 533126) is N,N-dihexylmethanesulfonamide.
What is the SMILES notation for N,N-dihexylmethanesulfonamide?
The canonical SMILES for N,N-dihexylmethanesulfonamide is CCCCCCN(CCCCCC)S(C)(=O)=O.
What is the InChIKey of N,N-dihexylmethanesulfonamide?
The InChIKey is DRSQXCLVVHQBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-4-6-8-10-12-14(17(3,15)16)13-11-9-7-5-2/h4-13H2,1-3H3.
What are the key properties of N,N-dihexylmethanesulfonamide?
N,N-dihexylmethanesulfonamide has a molecular weight of 263.45 g/mol, XLogP of 3.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexylmethanesulfonamide is sourced from PubChem (CID 533126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).