N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide

C11H18N2O3S — CID 71792750

IUPACN-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide
SMILESO=S(=O)(NCC#CCN1CCOCC1)C1CC1
InChIInChI=1S/C11H18N2O3S/c14-17(15,11-3-4-11)12-5-1-2-6-13-7-9-16-10-8-13/h11-12H,3-10H2
InChIKeyPZYGZJCWCBTMLF-UHFFFAOYSA-N
MW258.34 g/mol
LogP-0.60
Rot. Bonds4

About N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide

N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide (PubChem CID 71792750) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide
PubChem CID71792750
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide
SMILESO=S(=O)(NCC#CCN1CCOCC1)C1CC1
InChIInChI=1S/C11H18N2O3S/c14-17(15,11-3-4-11)12-5-1-2-6-13-7-9-16-10-8-13/h11-12H,3-10H2
InChIKeyPZYGZJCWCBTMLF-UHFFFAOYSA-N
XLogP-0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide?
The IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide (CID 71792750) is N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide?
The canonical SMILES for N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide is O=S(=O)(NCC#CCN1CCOCC1)C1CC1.
What is the InChIKey of N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide?
The InChIKey is PZYGZJCWCBTMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c14-17(15,11-3-4-11)12-5-1-2-6-13-7-9-16-10-8-13/h11-12H,3-10H2.
What are the key properties of N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide?
N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide has a molecular weight of 258.34 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanesulfonamide is sourced from PubChem (CID 71792750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).