N-methyl-2-(prop-2-ynylamino)ethanesulfonamide

C6H12N2O2S — CID 106333937

IUPACN-methyl-2-(prop-2-ynylamino)ethanesulfonamide
SMILESC#CCNCCS(=O)(=O)NC
InChIInChI=1S/C6H12N2O2S/c1-3-4-8-5-6-11(9,10)7-2/h1,7-8H,4-6H2,2H3
InChIKeyJBIXNRAHFVGIGF-UHFFFAOYSA-N
MW176.24 g/mol
LogP-1.24
Rot. Bonds5

About N-methyl-2-(prop-2-ynylamino)ethanesulfonamide

N-methyl-2-(prop-2-ynylamino)ethanesulfonamide (PubChem CID 106333937) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is N-methyl-2-(prop-2-ynylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(prop-2-ynylamino)ethanesulfonamide
PubChem CID106333937
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC NameN-methyl-2-(prop-2-ynylamino)ethanesulfonamide
SMILESC#CCNCCS(=O)(=O)NC
InChIInChI=1S/C6H12N2O2S/c1-3-4-8-5-6-11(9,10)7-2/h1,7-8H,4-6H2,2H3
InChIKeyJBIXNRAHFVGIGF-UHFFFAOYSA-N
XLogP-1.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-1.24
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

2-(3-aminopropylamino)-N-methylethanesulfonamide
CID 106333620
3-fluoro-N-prop-2-ynylpropan-1-amine
CID 81106793
2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide
CID 102674934
N-(2-bromoethyl)prop-2-yn-1-amine
CID 134828294
N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide
CID 114418198
2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 106336717
2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-N-methylethanesulfonamide
CID 114174793
2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide
CID 102674917
N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide
CID 106333857
N-methyl-4-(prop-2-ynylamino)butanamide
CID 63892463
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide
CID 102674823
N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide
CID 106336906

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(prop-2-ynylamino)ethanesulfonamide?
The IUPAC name of N-methyl-2-(prop-2-ynylamino)ethanesulfonamide (CID 106333937) is N-methyl-2-(prop-2-ynylamino)ethanesulfonamide.
What is the SMILES notation for N-methyl-2-(prop-2-ynylamino)ethanesulfonamide?
The canonical SMILES for N-methyl-2-(prop-2-ynylamino)ethanesulfonamide is C#CCNCCS(=O)(=O)NC.
What is the InChIKey of N-methyl-2-(prop-2-ynylamino)ethanesulfonamide?
The InChIKey is JBIXNRAHFVGIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-3-4-8-5-6-11(9,10)7-2/h1,7-8H,4-6H2,2H3.
What are the key properties of N-methyl-2-(prop-2-ynylamino)ethanesulfonamide?
N-methyl-2-(prop-2-ynylamino)ethanesulfonamide has a molecular weight of 176.24 g/mol, XLogP of -1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(prop-2-ynylamino)ethanesulfonamide is sourced from PubChem (CID 106333937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).