N-hex-1-yn-3-ylmethanesulfonamide

C7H13NO2S — CID 106898819

IUPACN-hex-1-yn-3-ylmethanesulfonamide
SMILESC#CC(CCC)NS(C)(=O)=O
InChIInChI=1S/C7H13NO2S/c1-4-6-7(5-2)8-11(3,9)10/h2,7-8H,4,6H2,1,3H3
InChIKeyALRGXPRGTFFSKA-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.34
Rot. Bonds4

About N-hex-1-yn-3-ylmethanesulfonamide

N-hex-1-yn-3-ylmethanesulfonamide (PubChem CID 106898819) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-hex-1-yn-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-hex-1-yn-3-ylmethanesulfonamide
PubChem CID106898819
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-hex-1-yn-3-ylmethanesulfonamide
SMILESC#CC(CCC)NS(C)(=O)=O
InChIInChI=1S/C7H13NO2S/c1-4-6-7(5-2)8-11(3,9)10/h2,7-8H,4,6H2,1,3H3
InChIKeyALRGXPRGTFFSKA-UHFFFAOYSA-N
XLogP0.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne
CID 106898864
N-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide
CID 106898849
N-hex-1-yn-3-yloxane-4-sulfonamide
CID 106898803
N-hex-1-yn-3-ylpiperazine-1-sulfonamide
CID 106231115
N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide
CID 106898897
2-amino-3-fluoro-N-hex-1-yn-3-ylbenzenesulfonamide
CID 106223729
4-chloro-N-hex-1-yn-3-yl-2-methyl-5-nitrobenzenesulfonamide
CID 106898869
4-bromo-2,6-dichloro-N-hex-1-yn-3-ylbenzenesulfonamide
CID 106228954
N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide
CID 106898784
2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide
CID 106229017
2-chloro-5-cyano-N-hex-1-yn-3-ylbenzenesulfonamide
CID 106898810
2,4-dichloro-5-(hex-1-yn-3-ylsulfamoyl)benzoic acid
CID 106224222

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-ylmethanesulfonamide?
The IUPAC name of N-hex-1-yn-3-ylmethanesulfonamide (CID 106898819) is N-hex-1-yn-3-ylmethanesulfonamide.
What is the SMILES notation for N-hex-1-yn-3-ylmethanesulfonamide?
The canonical SMILES for N-hex-1-yn-3-ylmethanesulfonamide is C#CC(CCC)NS(C)(=O)=O.
What is the InChIKey of N-hex-1-yn-3-ylmethanesulfonamide?
The InChIKey is ALRGXPRGTFFSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-4-6-7(5-2)8-11(3,9)10/h2,7-8H,4,6H2,1,3H3.
What are the key properties of N-hex-1-yn-3-ylmethanesulfonamide?
N-hex-1-yn-3-ylmethanesulfonamide has a molecular weight of 175.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-ylmethanesulfonamide is sourced from PubChem (CID 106898819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).