N-but-3-enyl-2-(methanesulfonamido)acetamide

C7H14N2O3S — CID 146374339

IUPACN-but-3-enyl-2-(methanesulfonamido)acetamide
SMILESC=CCCNC(=O)CNS(C)(=O)=O
InChIInChI=1S/C7H14N2O3S/c1-3-4-5-8-7(10)6-9-13(2,11)12/h3,9H,1,4-6H2,2H3,(H,8,10)
InChIKeyGINPFQGGEQHZGP-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.77
Rot. Bonds6

About N-but-3-enyl-2-(methanesulfonamido)acetamide

N-but-3-enyl-2-(methanesulfonamido)acetamide (PubChem CID 146374339) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-but-3-enyl-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-but-3-enyl-2-(methanesulfonamido)acetamide
PubChem CID146374339
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-but-3-enyl-2-(methanesulfonamido)acetamide
SMILESC=CCCNC(=O)CNS(C)(=O)=O
InChIInChI=1S/C7H14N2O3S/c1-3-4-5-8-7(10)6-9-13(2,11)12/h3,9H,1,4-6H2,2H3,(H,8,10)
InChIKeyGINPFQGGEQHZGP-UHFFFAOYSA-N
XLogP-0.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-(methanesulfonamido)acetamide?
The IUPAC name of N-but-3-enyl-2-(methanesulfonamido)acetamide (CID 146374339) is N-but-3-enyl-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-but-3-enyl-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-but-3-enyl-2-(methanesulfonamido)acetamide is C=CCCNC(=O)CNS(C)(=O)=O.
What is the InChIKey of N-but-3-enyl-2-(methanesulfonamido)acetamide?
The InChIKey is GINPFQGGEQHZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-3-4-5-8-7(10)6-9-13(2,11)12/h3,9H,1,4-6H2,2H3,(H,8,10).
What are the key properties of N-but-3-enyl-2-(methanesulfonamido)acetamide?
N-but-3-enyl-2-(methanesulfonamido)acetamide has a molecular weight of 206.27 g/mol, XLogP of -0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 146374339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).