1-(cyclohexylmethoxy)hexane-1-sulfonamide

C13H27NO3S — CID 67179388

IUPAC1-(cyclohexylmethoxy)hexane-1-sulfonamide
SMILESCCCCCC(OCC1CCCCC1)S(N)(=O)=O
InChIInChI=1S/C13H27NO3S/c1-2-3-5-10-13(18(14,15)16)17-11-12-8-6-4-7-9-12/h12-13H,2-11H2,1H3,(H2,14,15,16)
InChIKeyYYRKQTNPDGHAAC-UHFFFAOYSA-N
MW277.43 g/mol
LogP2.78
Rot. Bonds8

About 1-(cyclohexylmethoxy)hexane-1-sulfonamide

1-(cyclohexylmethoxy)hexane-1-sulfonamide (PubChem CID 67179388) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)hexane-1-sulfonamide.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)hexane-1-sulfonamide
PubChem CID67179388
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name1-(cyclohexylmethoxy)hexane-1-sulfonamide
SMILESCCCCCC(OCC1CCCCC1)S(N)(=O)=O
InChIInChI=1S/C13H27NO3S/c1-2-3-5-10-13(18(14,15)16)17-11-12-8-6-4-7-9-12/h12-13H,2-11H2,1H3,(H2,14,15,16)
InChIKeyYYRKQTNPDGHAAC-UHFFFAOYSA-N
XLogP2.78
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(cyclohexylmethoxy)hexane-1-sulfonamide?
The IUPAC name of 1-(cyclohexylmethoxy)hexane-1-sulfonamide (CID 67179388) is 1-(cyclohexylmethoxy)hexane-1-sulfonamide.
What is the SMILES notation for 1-(cyclohexylmethoxy)hexane-1-sulfonamide?
The canonical SMILES for 1-(cyclohexylmethoxy)hexane-1-sulfonamide is CCCCCC(OCC1CCCCC1)S(N)(=O)=O.
What is the InChIKey of 1-(cyclohexylmethoxy)hexane-1-sulfonamide?
The InChIKey is YYRKQTNPDGHAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-2-3-5-10-13(18(14,15)16)17-11-12-8-6-4-7-9-12/h12-13H,2-11H2,1H3,(H2,14,15,16).
What are the key properties of 1-(cyclohexylmethoxy)hexane-1-sulfonamide?
1-(cyclohexylmethoxy)hexane-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)hexane-1-sulfonamide is sourced from PubChem (CID 67179388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).