4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide

C9H20N2OS — CID 23187599

IUPAC4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide
SMILESCN(C)CCCC(=O)NCCCS
InChIInChI=1S/C9H20N2OS/c1-11(2)7-3-5-9(12)10-6-4-8-13/h13H,3-8H2,1-2H3,(H,10,12)
InChIKeyZSXWLLPYYAIOIE-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.76
Rot. Bonds7

About 4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide

4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide (PubChem CID 23187599) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide
PubChem CID23187599
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide
SMILESCN(C)CCCC(=O)NCCCS
InChIInChI=1S/C9H20N2OS/c1-11(2)7-3-5-9(12)10-6-4-8-13/h13H,3-8H2,1-2H3,(H,10,12)
InChIKeyZSXWLLPYYAIOIE-UHFFFAOYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.76
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

4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide
CID 23187588
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide
CID 11817935
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
5-bromo-N-[4-(dimethylamino)butyl]pentanamide
CID 107909932
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
N-pentyl-4-sulfanylbutanamide
CID 88984184

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide?
The IUPAC name of 4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide (CID 23187599) is 4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide?
The canonical SMILES for 4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide is CN(C)CCCC(=O)NCCCS.
What is the InChIKey of 4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide?
The InChIKey is ZSXWLLPYYAIOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-11(2)7-3-5-9(12)10-6-4-8-13/h13H,3-8H2,1-2H3,(H,10,12).
What are the key properties of 4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide?
4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide has a molecular weight of 204.34 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide is sourced from PubChem (CID 23187599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).