[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide

C16H31NO3S — CID 65010094

IUPAC[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COC2CCCCCC2)CCCCCC1
InChIInChI=1S/C16H31NO3S/c17-21(18,19)14-16(11-7-3-4-8-12-16)13-20-15-9-5-1-2-6-10-15/h15H,1-14H2,(H2,17,18,19)
InChIKeyHVXPPXDHQXRUAB-UHFFFAOYSA-N
MW317.50 g/mol
LogP3.35
Rot. Bonds5

About [1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide

[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide (PubChem CID 65010094) has the molecular formula C16H31NO3S and a molecular weight of 317.50 g/mol. Its IUPAC name is [1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide.

Molecular Properties

Compound Name[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide
PubChem CID65010094
Molecular FormulaC16H31NO3S
Molecular Weight317.50 g/mol
Exact Mass317.20
IUPAC Name[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COC2CCCCCC2)CCCCCC1
InChIInChI=1S/C16H31NO3S/c17-21(18,19)14-16(11-7-3-4-8-12-16)13-20-15-9-5-1-2-6-10-15/h15H,1-14H2,(H2,17,18,19)
InChIKeyHVXPPXDHQXRUAB-UHFFFAOYSA-N
XLogP3.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide?
The IUPAC name of [1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide (CID 65010094) is [1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide.
What is the SMILES notation for [1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide?
The canonical SMILES for [1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide is NS(=O)(=O)CC1(COC2CCCCCC2)CCCCCC1.
What is the InChIKey of [1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide?
The InChIKey is HVXPPXDHQXRUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3S/c17-21(18,19)14-16(11-7-3-4-8-12-16)13-20-15-9-5-1-2-6-10-15/h15H,1-14H2,(H2,17,18,19).
What are the key properties of [1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide?
[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide has a molecular weight of 317.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide is sourced from PubChem (CID 65010094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).