N-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide

C19H39N3O3S — CID 10178441

IUPACN-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide
SMILESC=CCN(C)CCCCCCOC1CCN(S(=O)(=O)NCCCC)CC1
InChIInChI=1S/C19H39N3O3S/c1-4-6-13-20-26(23,24)22-16-11-19(12-17-22)25-18-10-8-7-9-15-21(3)14-5-2/h5,19-20H,2,4,6-18H2,1,3H3
InChIKeyCJCANKGYUWAUGA-UHFFFAOYSA-N
MW389.61 g/mol
LogP2.78
Rot. Bonds15

About N-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide

N-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide (PubChem CID 10178441) has the molecular formula C19H39N3O3S and a molecular weight of 389.61 g/mol. Its IUPAC name is N-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide
PubChem CID10178441
Molecular FormulaC19H39N3O3S
Molecular Weight389.61 g/mol
Exact Mass389.27
IUPAC NameN-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide
SMILESC=CCN(C)CCCCCCOC1CCN(S(=O)(=O)NCCCC)CC1
InChIInChI=1S/C19H39N3O3S/c1-4-6-13-20-26(23,24)22-16-11-19(12-17-22)25-18-10-8-7-9-15-21(3)14-5-2/h5,19-20H,2,4,6-18H2,1,3H3
InChIKeyCJCANKGYUWAUGA-UHFFFAOYSA-N
XLogP2.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.61
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide?
The IUPAC name of N-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide (CID 10178441) is N-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide.
What is the SMILES notation for N-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide?
The canonical SMILES for N-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide is C=CCN(C)CCCCCCOC1CCN(S(=O)(=O)NCCCC)CC1.
What is the InChIKey of N-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide?
The InChIKey is CJCANKGYUWAUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O3S/c1-4-6-13-20-26(23,24)22-16-11-19(12-17-22)25-18-10-8-7-9-15-21(3)14-5-2/h5,19-20H,2,4,6-18H2,1,3H3.
What are the key properties of N-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide?
N-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide has a molecular weight of 389.61 g/mol, XLogP of 2.78, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide is sourced from PubChem (CID 10178441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).