N-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide

C11H24N2OS — CID 87431587

IUPACN-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide
SMILESCCN(C(C)=O)C(S)C(C)CC(C)NC
InChIInChI=1S/C11H24N2OS/c1-6-13(10(4)14)11(15)8(2)7-9(3)12-5/h8-9,11-12,15H,6-7H2,1-5H3
InChIKeyVLSXHXWPCGIZRD-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.74
Rot. Bonds6

About N-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide

N-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide (PubChem CID 87431587) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide
PubChem CID87431587
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide
SMILESCCN(C(C)=O)C(S)C(C)CC(C)NC
InChIInChI=1S/C11H24N2OS/c1-6-13(10(4)14)11(15)8(2)7-9(3)12-5/h8-9,11-12,15H,6-7H2,1-5H3
InChIKeyVLSXHXWPCGIZRD-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide?
The IUPAC name of N-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide (CID 87431587) is N-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide.
What is the SMILES notation for N-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide?
The canonical SMILES for N-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide is CCN(C(C)=O)C(S)C(C)CC(C)NC.
What is the InChIKey of N-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide?
The InChIKey is VLSXHXWPCGIZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-6-13(10(4)14)11(15)8(2)7-9(3)12-5/h8-9,11-12,15H,6-7H2,1-5H3.
What are the key properties of N-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide?
N-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide has a molecular weight of 232.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide is sourced from PubChem (CID 87431587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).