4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide

C15H31N3O3S — CID 67015457

IUPAC4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide
SMILESCC(CN(C1CCC1)S(=O)(=O)CCCCN)N1CCOCC1
InChIInChI=1S/C15H31N3O3S/c1-14(17-8-10-21-11-9-17)13-18(15-5-4-6-15)22(19,20)12-3-2-7-16/h14-15H,2-13,16H2,1H3
InChIKeyIDXAPNUZGKEGLI-UHFFFAOYSA-N
MW333.50 g/mol
LogP0.63
Rot. Bonds9

About 4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide

4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide (PubChem CID 67015457) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide
PubChem CID67015457
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC Name4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide
SMILESCC(CN(C1CCC1)S(=O)(=O)CCCCN)N1CCOCC1
InChIInChI=1S/C15H31N3O3S/c1-14(17-8-10-21-11-9-17)13-18(15-5-4-6-15)22(19,20)12-3-2-7-16/h14-15H,2-13,16H2,1H3
InChIKeyIDXAPNUZGKEGLI-UHFFFAOYSA-N
XLogP0.63
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 50.63
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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Related Compounds

3-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 53621690
N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide
CID 20656529
1-Cyclobutyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 71979573
N-(2-morpholin-4-ylpropyl)propane-1-sulfonamide
CID 75414492
N-[2-(2,2-Dimethylmorpholin-4-YL)ethyl]propane-1-sulfonamide
CID 86817595
(3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide
CID 97216357
N-[rac-(3R,4R)-4-(4-methylpiperazin-1-yl)tetrahydrofuran-3-yl]butane-1-sulfonamide
CID 131925098
1-methoxy-N-(3-methyl-2-morpholin-4-ylbutyl)propane-2-sulfonamide
CID 53595543
N-(2-morpholin-4-ylethyl)ethanesulfonamide
CID 19685555
N-[3-(morpholin-4-yl)propyl]ethane-1-sulfonamide
CID 52448926
N-(1-morpholin-4-yl-3-sulfanylidenepropan-2-yl)methanesulfonamide
CID 53828615
N-methyl-3-morpholin-4-ylpropane-1-sulfonamide
CID 57678159

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide (CID 67015457) is 4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide is CC(CN(C1CCC1)S(=O)(=O)CCCCN)N1CCOCC1.
What is the InChIKey of 4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide?
The InChIKey is IDXAPNUZGKEGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-14(17-8-10-21-11-9-17)13-18(15-5-4-6-15)22(19,20)12-3-2-7-16/h14-15H,2-13,16H2,1H3.
What are the key properties of 4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide?
4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide has a molecular weight of 333.50 g/mol, XLogP of 0.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclobutyl-N-(2-morpholin-4-ylpropyl)butane-1-sulfonamide is sourced from PubChem (CID 67015457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).