N-hex-5-ynyl-2-methylsulfonylacetamide

C9H15NO3S — CID 103758108

IUPACN-hex-5-ynyl-2-methylsulfonylacetamide
SMILESC#CCCCCNC(=O)CS(C)(=O)=O
InChIInChI=1S/C9H15NO3S/c1-3-4-5-6-7-10-9(11)8-14(2,12)13/h1H,4-8H2,2H3,(H,10,11)
InChIKeyYPEYOWWGQBZMOX-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.05
Rot. Bonds6

About N-hex-5-ynyl-2-methylsulfonylacetamide

N-hex-5-ynyl-2-methylsulfonylacetamide (PubChem CID 103758108) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-hex-5-ynyl-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-hex-5-ynyl-2-methylsulfonylacetamide
PubChem CID103758108
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC NameN-hex-5-ynyl-2-methylsulfonylacetamide
SMILESC#CCCCCNC(=O)CS(C)(=O)=O
InChIInChI=1S/C9H15NO3S/c1-3-4-5-6-7-10-9(11)8-14(2,12)13/h1H,4-8H2,2H3,(H,10,11)
InChIKeyYPEYOWWGQBZMOX-UHFFFAOYSA-N
XLogP-0.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
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-hex-5-ynyl-3,3-dimethylbutanamide
CID 103758094
N-(6-aminohexyl)-2-methylsulfonylacetamide
CID 107843916
2-cyano-N-hex-5-ynylacetamide
CID 104920077
N-hex-5-ynyl-2-(propan-2-ylamino)acetamide
CID 106213054
N-hex-5-ynyl-3-methylsulfanylpropanamide
CID 103757804
1-methylsulfonylhept-6-yn-2-one
CID 115798471
1-hex-5-ynyl-3-methylurea
CID 103757181
methyl N-hex-5-ynylcarbamate
CID 103758218
2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide
CID 140721019
oct-7-ynylcarbamic acid
CID 174966346
2-amino-N-hex-5-ynylbutanamide
CID 103950447
2-formamido-N-hex-5-ynylacetamide
CID 143163619

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-2-methylsulfonylacetamide?
The IUPAC name of N-hex-5-ynyl-2-methylsulfonylacetamide (CID 103758108) is N-hex-5-ynyl-2-methylsulfonylacetamide.
What is the SMILES notation for N-hex-5-ynyl-2-methylsulfonylacetamide?
The canonical SMILES for N-hex-5-ynyl-2-methylsulfonylacetamide is C#CCCCCNC(=O)CS(C)(=O)=O.
What is the InChIKey of N-hex-5-ynyl-2-methylsulfonylacetamide?
The InChIKey is YPEYOWWGQBZMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-3-4-5-6-7-10-9(11)8-14(2,12)13/h1H,4-8H2,2H3,(H,10,11).
What are the key properties of N-hex-5-ynyl-2-methylsulfonylacetamide?
N-hex-5-ynyl-2-methylsulfonylacetamide has a molecular weight of 217.29 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-2-methylsulfonylacetamide is sourced from PubChem (CID 103758108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).