N-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylacetamide

C12H24N2O2S — CID 575385

IUPACN-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylacetamide
SMILESCCCCNC(=O)CSCC(=O)NCCCC
InChIInChI=1S/C12H24N2O2S/c1-3-5-7-13-11(15)9-17-10-12(16)14-8-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyKKOXPBFTQIUYAG-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.55
Rot. Bonds10

About N-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylacetamide

N-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylacetamide (PubChem CID 575385) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylacetamide
PubChem CID575385
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylacetamide
SMILESCCCCNC(=O)CSCC(=O)NCCCC
InChIInChI=1S/C12H24N2O2S/c1-3-5-7-13-11(15)9-17-10-12(16)14-8-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyKKOXPBFTQIUYAG-UHFFFAOYSA-N
XLogP1.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.55
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-[2-(butylamino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylacetamide (CID 575385) is N-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylacetamide is CCCCNC(=O)CSCC(=O)NCCCC.
What is the InChIKey of N-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is KKOXPBFTQIUYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-5-7-13-11(15)9-17-10-12(16)14-8-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylacetamide?
N-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 260.40 g/mol, XLogP of 1.55, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 575385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).