N-[2-(propan-2-ylsulfonylamino)ethyl]acetamide

C7H16N2O3S — CID 23402937

IUPACN-[2-(propan-2-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)C(C)C
InChIInChI=1S/C7H16N2O3S/c1-6(2)13(11,12)9-5-4-8-7(3)10/h6,9H,4-5H2,1-3H3,(H,8,10)
InChIKeyBBAKCBUZMJPQTI-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.55
Rot. Bonds5

About N-[2-(propan-2-ylsulfonylamino)ethyl]acetamide

N-[2-(propan-2-ylsulfonylamino)ethyl]acetamide (PubChem CID 23402937) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-[2-(propan-2-ylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylsulfonylamino)ethyl]acetamide
PubChem CID23402937
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-[2-(propan-2-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)C(C)C
InChIInChI=1S/C7H16N2O3S/c1-6(2)13(11,12)9-5-4-8-7(3)10/h6,9H,4-5H2,1-3H3,(H,8,10)
InChIKeyBBAKCBUZMJPQTI-UHFFFAOYSA-N
XLogP-0.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[2-(propan-2-ylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-[2-(propan-2-ylsulfonylamino)ethyl]acetamide (CID 23402937) is N-[2-(propan-2-ylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(propan-2-ylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(propan-2-ylsulfonylamino)ethyl]acetamide is CC(=O)NCCNS(=O)(=O)C(C)C.
What is the InChIKey of N-[2-(propan-2-ylsulfonylamino)ethyl]acetamide?
The InChIKey is BBAKCBUZMJPQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-6(2)13(11,12)9-5-4-8-7(3)10/h6,9H,4-5H2,1-3H3,(H,8,10).
What are the key properties of N-[2-(propan-2-ylsulfonylamino)ethyl]acetamide?
N-[2-(propan-2-ylsulfonylamino)ethyl]acetamide has a molecular weight of 208.28 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 23402937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).