N-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide

C8H14N2O3S — CID 56765718

IUPACN-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide
SMILESC#CCCNC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C8H14N2O3S/c1-4-5-6-9-8(11)7-10(2)14(3,12)13/h1H,5-7H2,2-3H3,(H,9,11)
InChIKeyNYXKKSNUJXEYDU-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.98
Rot. Bonds5

About N-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide

N-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 56765718) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID56765718
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide
SMILESC#CCCNC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C8H14N2O3S/c1-4-5-6-9-8(11)7-10(2)14(3,12)13/h1H,5-7H2,2-3H3,(H,9,11)
InChIKeyNYXKKSNUJXEYDU-UHFFFAOYSA-N
XLogP-0.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.98
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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Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide (CID 56765718) is N-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide is C#CCCNC(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is NYXKKSNUJXEYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-4-5-6-9-8(11)7-10(2)14(3,12)13/h1H,5-7H2,2-3H3,(H,9,11).
What are the key properties of N-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide?
N-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 218.28 g/mol, XLogP of -0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 56765718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).