N-cyclohexyl-2-(octylamino)ethanesulfonamide

C16H34N2O2S — CID 45480036

IUPACN-cyclohexyl-2-(octylamino)ethanesulfonamide
SMILESCCCCCCCCNCCS(=O)(=O)NC1CCCCC1
InChIInChI=1S/C16H34N2O2S/c1-2-3-4-5-6-10-13-17-14-15-21(19,20)18-16-11-8-7-9-12-16/h16-18H,2-15H2,1H3
InChIKeyPITMKHMPZICYRT-UHFFFAOYSA-N
MW318.53 g/mol
LogP3.19
Rot. Bonds12

About N-cyclohexyl-2-(octylamino)ethanesulfonamide

N-cyclohexyl-2-(octylamino)ethanesulfonamide (PubChem CID 45480036) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is N-cyclohexyl-2-(octylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(octylamino)ethanesulfonamide
PubChem CID45480036
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC NameN-cyclohexyl-2-(octylamino)ethanesulfonamide
SMILESCCCCCCCCNCCS(=O)(=O)NC1CCCCC1
InChIInChI=1S/C16H34N2O2S/c1-2-3-4-5-6-10-13-17-14-15-21(19,20)18-16-11-8-7-9-12-16/h16-18H,2-15H2,1H3
InChIKeyPITMKHMPZICYRT-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.19
H-Bond Donors ≤ 52
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 N-cyclohexyl-2-(octylamino)ethanesulfonamide?
The IUPAC name of N-cyclohexyl-2-(octylamino)ethanesulfonamide (CID 45480036) is N-cyclohexyl-2-(octylamino)ethanesulfonamide.
What is the SMILES notation for N-cyclohexyl-2-(octylamino)ethanesulfonamide?
The canonical SMILES for N-cyclohexyl-2-(octylamino)ethanesulfonamide is CCCCCCCCNCCS(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(octylamino)ethanesulfonamide?
The InChIKey is PITMKHMPZICYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-2-3-4-5-6-10-13-17-14-15-21(19,20)18-16-11-8-7-9-12-16/h16-18H,2-15H2,1H3.
What are the key properties of N-cyclohexyl-2-(octylamino)ethanesulfonamide?
N-cyclohexyl-2-(octylamino)ethanesulfonamide has a molecular weight of 318.53 g/mol, XLogP of 3.19, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(octylamino)ethanesulfonamide is sourced from PubChem (CID 45480036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).