6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide

C18H37N3O4S — CID 72735790

IUPAC6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide
SMILESNCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1
InChIInChI=1S/C18H37N3O4S/c19-10-6-1-2-7-17-26(22,23)21(18-8-4-3-5-9-18)25-16-13-20-11-14-24-15-12-20/h18H,1-17,19H2
InChIKeyADMUPFITPSLFQC-UHFFFAOYSA-N
MW391.58 g/mol
LogP1.73
Rot. Bonds12

About 6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide

6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide (PubChem CID 72735790) has the molecular formula C18H37N3O4S and a molecular weight of 391.58 g/mol. Its IUPAC name is 6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide.

Molecular Properties

Compound Name6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide
PubChem CID72735790
Molecular FormulaC18H37N3O4S
Molecular Weight391.58 g/mol
Exact Mass391.25
IUPAC Name6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide
SMILESNCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1
InChIInChI=1S/C18H37N3O4S/c19-10-6-1-2-7-17-26(22,23)21(18-8-4-3-5-9-18)25-16-13-20-11-14-24-15-12-20/h18H,1-17,19H2
InChIKeyADMUPFITPSLFQC-UHFFFAOYSA-N
XLogP1.73
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide?
The IUPAC name of 6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide (CID 72735790) is 6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide.
What is the SMILES notation for 6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide?
The canonical SMILES for 6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide is NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1.
What is the InChIKey of 6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide?
The InChIKey is ADMUPFITPSLFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O4S/c19-10-6-1-2-7-17-26(22,23)21(18-8-4-3-5-9-18)25-16-13-20-11-14-24-15-12-20/h18H,1-17,19H2.
What are the key properties of 6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide?
6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide has a molecular weight of 391.58 g/mol, XLogP of 1.73, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-cyclohexyl-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide is sourced from PubChem (CID 72735790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).