6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide

C20H41N3O3S — CID 70992468

IUPAC6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide
SMILESNCCCCCCS(=O)(=O)N(CCCN1CCOCC1)CC1CCCCC1
InChIInChI=1S/C20H41N3O3S/c21-11-6-1-2-7-18-27(24,25)23(19-20-9-4-3-5-10-20)13-8-12-22-14-16-26-17-15-22/h20H,1-19,21H2
InChIKeyUDVPRHDTQYLLMP-UHFFFAOYSA-N
MW403.63 g/mol
LogP2.44
Rot. Bonds13

About 6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide

6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide (PubChem CID 70992468) has the molecular formula C20H41N3O3S and a molecular weight of 403.63 g/mol. Its IUPAC name is 6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide
PubChem CID70992468
Molecular FormulaC20H41N3O3S
Molecular Weight403.63 g/mol
Exact Mass403.29
IUPAC Name6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide
SMILESNCCCCCCS(=O)(=O)N(CCCN1CCOCC1)CC1CCCCC1
InChIInChI=1S/C20H41N3O3S/c21-11-6-1-2-7-18-27(24,25)23(19-20-9-4-3-5-10-20)13-8-12-22-14-16-26-17-15-22/h20H,1-19,21H2
InChIKeyUDVPRHDTQYLLMP-UHFFFAOYSA-N
XLogP2.44
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.63
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide?
The IUPAC name of 6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide (CID 70992468) is 6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide.
What is the SMILES notation for 6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide?
The canonical SMILES for 6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide is NCCCCCCS(=O)(=O)N(CCCN1CCOCC1)CC1CCCCC1.
What is the InChIKey of 6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide?
The InChIKey is UDVPRHDTQYLLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O3S/c21-11-6-1-2-7-18-27(24,25)23(19-20-9-4-3-5-10-20)13-8-12-22-14-16-26-17-15-22/h20H,1-19,21H2.
What are the key properties of 6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide?
6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide has a molecular weight of 403.63 g/mol, XLogP of 2.44, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide is sourced from PubChem (CID 70992468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).