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

C9H16N2O3S — CID 71792737

IUPACN-(4-morpholin-4-ylbut-2-ynyl)methanesulfonamide
SMILESCS(=O)(=O)NCC#CCN1CCOCC1
InChIInChI=1S/C9H16N2O3S/c1-15(12,13)10-4-2-3-5-11-6-8-14-9-7-11/h10H,4-9H2,1H3
InChIKeyRFYDNGGHDACZAT-UHFFFAOYSA-N
MW232.30 g/mol
LogP-1.13
Rot. Bonds3

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

N-(4-morpholin-4-ylbut-2-ynyl)methanesulfonamide (PubChem CID 71792737) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbut-2-ynyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbut-2-ynyl)methanesulfonamide
PubChem CID71792737
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-(4-morpholin-4-ylbut-2-ynyl)methanesulfonamide
SMILESCS(=O)(=O)NCC#CCN1CCOCC1
InChIInChI=1S/C9H16N2O3S/c1-15(12,13)10-4-2-3-5-11-6-8-14-9-7-11/h10H,4-9H2,1H3
InChIKeyRFYDNGGHDACZAT-UHFFFAOYSA-N
XLogP-1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 71792743
CID 71792743
CID 20656529
CID 20656529
CID 71792750
CID 71792750
CID 1237764
CID 1237764
CID 3299519
CID 3299519
CID 20656530
CID 20656530
CID 52448926
CID 52448926
CID 57678159
CID 57678159
CID 58603346
CID 58603346
CID 58968861
CID 58968861
CID 59748450
CID 59748450
CID 60642017
CID 60642017

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)methanesulfonamide?
The IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)methanesulfonamide (CID 71792737) is N-(4-morpholin-4-ylbut-2-ynyl)methanesulfonamide.
What is the SMILES notation for N-(4-morpholin-4-ylbut-2-ynyl)methanesulfonamide?
The canonical SMILES for N-(4-morpholin-4-ylbut-2-ynyl)methanesulfonamide is CS(=O)(=O)NCC#CCN1CCOCC1.
What is the InChIKey of N-(4-morpholin-4-ylbut-2-ynyl)methanesulfonamide?
The InChIKey is RFYDNGGHDACZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-15(12,13)10-4-2-3-5-11-6-8-14-9-7-11/h10H,4-9H2,1H3.
What are the key properties of N-(4-morpholin-4-ylbut-2-ynyl)methanesulfonamide?
N-(4-morpholin-4-ylbut-2-ynyl)methanesulfonamide has a molecular weight of 232.30 g/mol, XLogP of -1.13, 3 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)methanesulfonamide is sourced from PubChem (CID 71792737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).