2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide

C13H28N2OS — CID 158713217

IUPAC2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide
SMILESCCCCN(CCCCCCS)CC(=O)NC
InChIInChI=1S/C13H28N2OS/c1-3-4-9-15(12-13(16)14-2)10-7-5-6-8-11-17/h17H,3-12H2,1-2H3,(H,14,16)
InChIKeySSVYVQXQEUCDBR-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.32
Rot. Bonds11

About 2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide

2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide (PubChem CID 158713217) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide
PubChem CID158713217
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide
SMILESCCCCN(CCCCCCS)CC(=O)NC
InChIInChI=1S/C13H28N2OS/c1-3-4-9-15(12-13(16)14-2)10-7-5-6-8-11-17/h17H,3-12H2,1-2H3,(H,14,16)
InChIKeySSVYVQXQEUCDBR-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
CID 100944879
N-methyl-2-[4-oxohexyl(propyl)amino]acetamide
CID 106801369
2-[dodecyl(methyl)amino]-N-methylacetamide
CID 87591465
4-[hexyl(pentyl)amino]butane-1-thiol
CID 23362522
2-[butyl(methyl)amino]-N-methylacetamide
CID 123914364
decyl-[2-(methylamino)-2-oxoethyl]carbamic acid
CID 87240984
[2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid
CID 87240875
N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide
CID 137363672
2-[ethyl(5-oxohexyl)amino]-N-methylacetamide
CID 62052639
2-[ethyl(4-oxohexyl)amino]-N-methylacetamide
CID 106801333
N-methyl-6-sulfanylhexanamide
CID 58262294
N',N'-dibutyl-N-methylpropanediamide
CID 58195820

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide?
The IUPAC name of 2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide (CID 158713217) is 2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide is CCCCN(CCCCCCS)CC(=O)NC.
What is the InChIKey of 2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide?
The InChIKey is SSVYVQXQEUCDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-3-4-9-15(12-13(16)14-2)10-7-5-6-8-11-17/h17H,3-12H2,1-2H3,(H,14,16).
What are the key properties of 2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide?
2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide has a molecular weight of 260.45 g/mol, XLogP of 2.32, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(6-sulfanylhexyl)amino]-N-methylacetamide is sourced from PubChem (CID 158713217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).