1-(cyclohexylmethoxy)heptane-1-sulfonamide

C14H29NO3S — CID 67178979

IUPAC1-(cyclohexylmethoxy)heptane-1-sulfonamide
SMILESCCCCCCC(OCC1CCCCC1)S(N)(=O)=O
InChIInChI=1S/C14H29NO3S/c1-2-3-4-8-11-14(19(15,16)17)18-12-13-9-6-5-7-10-13/h13-14H,2-12H2,1H3,(H2,15,16,17)
InChIKeyQGZXUZFABMTXHY-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.17
Rot. Bonds9

About 1-(cyclohexylmethoxy)heptane-1-sulfonamide

1-(cyclohexylmethoxy)heptane-1-sulfonamide (PubChem CID 67178979) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)heptane-1-sulfonamide.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)heptane-1-sulfonamide
PubChem CID67178979
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name1-(cyclohexylmethoxy)heptane-1-sulfonamide
SMILESCCCCCCC(OCC1CCCCC1)S(N)(=O)=O
InChIInChI=1S/C14H29NO3S/c1-2-3-4-8-11-14(19(15,16)17)18-12-13-9-6-5-7-10-13/h13-14H,2-12H2,1H3,(H2,15,16,17)
InChIKeyQGZXUZFABMTXHY-UHFFFAOYSA-N
XLogP3.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(cyclohexylmethoxy)heptane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)heptane-1-sulfonamide?
The IUPAC name of 1-(cyclohexylmethoxy)heptane-1-sulfonamide (CID 67178979) is 1-(cyclohexylmethoxy)heptane-1-sulfonamide.
What is the SMILES notation for 1-(cyclohexylmethoxy)heptane-1-sulfonamide?
The canonical SMILES for 1-(cyclohexylmethoxy)heptane-1-sulfonamide is CCCCCCC(OCC1CCCCC1)S(N)(=O)=O.
What is the InChIKey of 1-(cyclohexylmethoxy)heptane-1-sulfonamide?
The InChIKey is QGZXUZFABMTXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-2-3-4-8-11-14(19(15,16)17)18-12-13-9-6-5-7-10-13/h13-14H,2-12H2,1H3,(H2,15,16,17).
What are the key properties of 1-(cyclohexylmethoxy)heptane-1-sulfonamide?
1-(cyclohexylmethoxy)heptane-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)heptane-1-sulfonamide is sourced from PubChem (CID 67178979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).