N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide

C13H22N2O3S — CID 45479983

IUPACN-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide
SMILESO=S(=O)(CCNCc1ccco1)NC1CCCCC1
InChIInChI=1S/C13H22N2O3S/c16-19(17,15-12-5-2-1-3-6-12)10-8-14-11-13-7-4-9-18-13/h4,7,9,12,14-15H,1-3,5-6,8,10-11H2
InChIKeyUZMAURRZAIYHEI-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.62
Rot. Bonds7

About N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide

N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide (PubChem CID 45479983) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide
PubChem CID45479983
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide
SMILESO=S(=O)(CCNCc1ccco1)NC1CCCCC1
InChIInChI=1S/C13H22N2O3S/c16-19(17,15-12-5-2-1-3-6-12)10-8-14-11-13-7-4-9-18-13/h4,7,9,12,14-15H,1-3,5-6,8,10-11H2
InChIKeyUZMAURRZAIYHEI-UHFFFAOYSA-N
XLogP1.62
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(furan-2-ylmethylamino)ethanesulfonamide?
The IUPAC name of N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide (CID 45479983) is N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide.
What is the SMILES notation for N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide?
The canonical SMILES for N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide is O=S(=O)(CCNCc1ccco1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide?
The InChIKey is UZMAURRZAIYHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c16-19(17,15-12-5-2-1-3-6-12)10-8-14-11-13-7-4-9-18-13/h4,7,9,12,14-15H,1-3,5-6,8,10-11H2.
What are the key properties of N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide?
N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide is sourced from PubChem (CID 45479983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).