4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide

C8H18N2O2S — CID 19373946

IUPAC4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide
SMILESNCCCC(=O)NCCOCCS
InChIInChI=1S/C8H18N2O2S/c9-3-1-2-8(11)10-4-5-12-6-7-13/h13H,1-7,9H2,(H,10,11)
InChIKeyHCNYISLUCPDBJC-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.21
Rot. Bonds8

About 4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide

4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide (PubChem CID 19373946) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide
PubChem CID19373946
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide
SMILESNCCCC(=O)NCCOCCS
InChIInChI=1S/C8H18N2O2S/c9-3-1-2-8(11)10-4-5-12-6-7-13/h13H,1-7,9H2,(H,10,11)
InChIKeyHCNYISLUCPDBJC-UHFFFAOYSA-N
XLogP-0.21
TPSA64.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide (CID 19373946) is 4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide is NCCCC(=O)NCCOCCS.
What is the InChIKey of 4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide?
The InChIKey is HCNYISLUCPDBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c9-3-1-2-8(11)10-4-5-12-6-7-13/h13H,1-7,9H2,(H,10,11).
What are the key properties of 4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide?
4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide has a molecular weight of 206.31 g/mol, XLogP of -0.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-sulfanylethoxy)ethyl]butanamide is sourced from PubChem (CID 19373946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).