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

C15H31N3O3S — CID 174634231

IUPAC4-amino-N-cyclobutyl-N-(1-morpholin-2-ylpropyl)butane-1-sulfonamide
SMILESCCC(C1CNCCO1)N(C1CCC1)S(=O)(=O)CCCCN
InChIInChI=1S/C15H31N3O3S/c1-2-14(15-12-17-9-10-21-15)18(13-6-5-7-13)22(19,20)11-4-3-8-16/h13-15,17H,2-12,16H2,1H3
InChIKeyKOFSETKUDFIGJM-UHFFFAOYSA-N
MW333.50 g/mol
LogP0.68
Rot. Bonds9

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

4-amino-N-cyclobutyl-N-(1-morpholin-2-ylpropyl)butane-1-sulfonamide (PubChem CID 174634231) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-N-(1-morpholin-2-ylpropyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-N-(1-morpholin-2-ylpropyl)butane-1-sulfonamide
PubChem CID174634231
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC Name4-amino-N-cyclobutyl-N-(1-morpholin-2-ylpropyl)butane-1-sulfonamide
SMILESCCC(C1CNCCO1)N(C1CCC1)S(=O)(=O)CCCCN
InChIInChI=1S/C15H31N3O3S/c1-2-14(15-12-17-9-10-21-15)18(13-6-5-7-13)22(19,20)11-4-3-8-16/h13-15,17H,2-12,16H2,1H3
InChIKeyKOFSETKUDFIGJM-UHFFFAOYSA-N
XLogP0.68
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 50.68
H-Bond Donors ≤ 52
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 4-amino-N-cyclobutyl-N-(1-morpholin-2-ylpropyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-cyclobutyl-N-(1-morpholin-2-ylpropyl)butane-1-sulfonamide (CID 174634231) is 4-amino-N-cyclobutyl-N-(1-morpholin-2-ylpropyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-cyclobutyl-N-(1-morpholin-2-ylpropyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-cyclobutyl-N-(1-morpholin-2-ylpropyl)butane-1-sulfonamide is CCC(C1CNCCO1)N(C1CCC1)S(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-cyclobutyl-N-(1-morpholin-2-ylpropyl)butane-1-sulfonamide?
The InChIKey is KOFSETKUDFIGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-2-14(15-12-17-9-10-21-15)18(13-6-5-7-13)22(19,20)11-4-3-8-16/h13-15,17H,2-12,16H2,1H3.
What are the key properties of 4-amino-N-cyclobutyl-N-(1-morpholin-2-ylpropyl)butane-1-sulfonamide?
4-amino-N-cyclobutyl-N-(1-morpholin-2-ylpropyl)butane-1-sulfonamide has a molecular weight of 333.50 g/mol, XLogP of 0.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclobutyl-N-(1-morpholin-2-ylpropyl)butane-1-sulfonamide is sourced from PubChem (CID 174634231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).