N-butyl-2-(methanesulfonamido)acetamide

C7H16N2O3S — CID 22973780

IUPACN-butyl-2-(methanesulfonamido)acetamide
SMILESCCCCNC(=O)CNS(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-3-4-5-8-7(10)6-9-13(2,11)12/h9H,3-6H2,1-2H3,(H,8,10)
InChIKeyNTZKQVMOMNFGGU-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.55
Rot. Bonds6

About N-butyl-2-(methanesulfonamido)acetamide

N-butyl-2-(methanesulfonamido)acetamide (PubChem CID 22973780) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-butyl-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-butyl-2-(methanesulfonamido)acetamide
PubChem CID22973780
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-butyl-2-(methanesulfonamido)acetamide
SMILESCCCCNC(=O)CNS(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-3-4-5-8-7(10)6-9-13(2,11)12/h9H,3-6H2,1-2H3,(H,8,10)
InChIKeyNTZKQVMOMNFGGU-UHFFFAOYSA-N
XLogP-0.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(methanesulfonamido)acetamide?
The IUPAC name of N-butyl-2-(methanesulfonamido)acetamide (CID 22973780) is N-butyl-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-butyl-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-butyl-2-(methanesulfonamido)acetamide is CCCCNC(=O)CNS(C)(=O)=O.
What is the InChIKey of N-butyl-2-(methanesulfonamido)acetamide?
The InChIKey is NTZKQVMOMNFGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-3-4-5-8-7(10)6-9-13(2,11)12/h9H,3-6H2,1-2H3,(H,8,10).
What are the key properties of N-butyl-2-(methanesulfonamido)acetamide?
N-butyl-2-(methanesulfonamido)acetamide has a molecular weight of 208.28 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 22973780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).