7-(cyclohexylmethoxy)heptane-1-sulfonamide

C14H29NO3S — CID 67178982

IUPAC7-(cyclohexylmethoxy)heptane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCCOCC1CCCCC1
InChIInChI=1S/C14H29NO3S/c15-19(16,17)12-8-3-1-2-7-11-18-13-14-9-5-4-6-10-14/h14H,1-13H2,(H2,15,16,17)
InChIKeyASDZWJZECJEMSM-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.82
Rot. Bonds10

About 7-(cyclohexylmethoxy)heptane-1-sulfonamide

7-(cyclohexylmethoxy)heptane-1-sulfonamide (PubChem CID 67178982) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 7-(cyclohexylmethoxy)heptane-1-sulfonamide.

Molecular Properties

Compound Name7-(cyclohexylmethoxy)heptane-1-sulfonamide
PubChem CID67178982
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name7-(cyclohexylmethoxy)heptane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCCOCC1CCCCC1
InChIInChI=1S/C14H29NO3S/c15-19(16,17)12-8-3-1-2-7-11-18-13-14-9-5-4-6-10-14/h14H,1-13H2,(H2,15,16,17)
InChIKeyASDZWJZECJEMSM-UHFFFAOYSA-N
XLogP2.82
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.82
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 7-(cyclohexylmethoxy)heptane-1-sulfonamide?
The IUPAC name of 7-(cyclohexylmethoxy)heptane-1-sulfonamide (CID 67178982) is 7-(cyclohexylmethoxy)heptane-1-sulfonamide.
What is the SMILES notation for 7-(cyclohexylmethoxy)heptane-1-sulfonamide?
The canonical SMILES for 7-(cyclohexylmethoxy)heptane-1-sulfonamide is NS(=O)(=O)CCCCCCCOCC1CCCCC1.
What is the InChIKey of 7-(cyclohexylmethoxy)heptane-1-sulfonamide?
The InChIKey is ASDZWJZECJEMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c15-19(16,17)12-8-3-1-2-7-11-18-13-14-9-5-4-6-10-14/h14H,1-13H2,(H2,15,16,17).
What are the key properties of 7-(cyclohexylmethoxy)heptane-1-sulfonamide?
7-(cyclohexylmethoxy)heptane-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethoxy)heptane-1-sulfonamide is sourced from PubChem (CID 67178982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).