N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide

C16H26N2O2S — CID 45479967

IUPACN-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide
SMILESO=S(=O)(CCNCCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H26N2O2S/c19-21(20,18-16-9-5-2-6-10-16)14-13-17-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16-18H,2,5-6,9-14H2
InChIKeyJGELDIZXKQVRDK-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.07
Rot. Bonds8

About N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide

N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide (PubChem CID 45479967) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide
PubChem CID45479967
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide
SMILESO=S(=O)(CCNCCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H26N2O2S/c19-21(20,18-16-9-5-2-6-10-16)14-13-17-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16-18H,2,5-6,9-14H2
InChIKeyJGELDIZXKQVRDK-UHFFFAOYSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.07
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-(2-phenylethylamino)ethanesulfonamide?
The IUPAC name of N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide (CID 45479967) is N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide.
What is the SMILES notation for N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide?
The canonical SMILES for N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide is O=S(=O)(CCNCCc1ccccc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide?
The InChIKey is JGELDIZXKQVRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c19-21(20,18-16-9-5-2-6-10-16)14-13-17-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,16-18H,2,5-6,9-14H2.
What are the key properties of N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide?
N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide is sourced from PubChem (CID 45479967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).