N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide

C8H16N2O2S — CID 114418198

IUPACN-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide
SMILESC#CC(C)NS(=O)(=O)CCNCC
InChIInChI=1S/C8H16N2O2S/c1-4-8(3)10-13(11,12)7-6-9-5-2/h1,8-10H,5-7H2,2-3H3
InChIKeyJVMUBBGQEZIKRW-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.46
Rot. Bonds6

About N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide

N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide (PubChem CID 114418198) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide
PubChem CID114418198
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide
SMILESC#CC(C)NS(=O)(=O)CCNCC
InChIInChI=1S/C8H16N2O2S/c1-4-8(3)10-13(11,12)7-6-9-5-2/h1,8-10H,5-7H2,2-3H3
InChIKeyJVMUBBGQEZIKRW-UHFFFAOYSA-N
XLogP-0.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide
CID 114419155
1-bromo-N-but-3-yn-2-ylmethanesulfonamide
CID 114418738
2-(ethylamino)-N-hydroxyethanesulfonamide
CID 138681118
N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine
CID 114816692
3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide
CID 106079659
N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide
CID 115407704
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide
CID 79241633
2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
CID 62118702
N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide
CID 106053850
3-(ethylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1-sulfonamide
CID 106050931
N-[1-(4-bromophenyl)ethyl]-2-(propylamino)ethanesulfonamide
CID 106049594
4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide
CID 106011733

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide (CID 114418198) is N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide is C#CC(C)NS(=O)(=O)CCNCC.
What is the InChIKey of N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide?
The InChIKey is JVMUBBGQEZIKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-4-8(3)10-13(11,12)7-6-9-5-2/h1,8-10H,5-7H2,2-3H3.
What are the key properties of N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide?
N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide has a molecular weight of 204.29 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 114418198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).