3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide

C14H28N2O2S — CID 23451991

IUPAC3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide
SMILESCCCCN(CCCC)C(=O)CCSCCC(N)=O
InChIInChI=1S/C14H28N2O2S/c1-3-5-9-16(10-6-4-2)14(18)8-12-19-11-7-13(15)17/h3-12H2,1-2H3,(H2,15,17)
InChIKeyDQUSHDQMSJMQGP-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.41
Rot. Bonds12

About 3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide

3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide (PubChem CID 23451991) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide.

Molecular Properties

Compound Name3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide
PubChem CID23451991
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide
SMILESCCCCN(CCCC)C(=O)CCSCCC(N)=O
InChIInChI=1S/C14H28N2O2S/c1-3-5-9-16(10-6-4-2)14(18)8-12-19-11-7-13(15)17/h3-12H2,1-2H3,(H2,15,17)
InChIKeyDQUSHDQMSJMQGP-UHFFFAOYSA-N
XLogP2.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibutyl-3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 559874
3-propylsulfanyl-N,N-di(tetradecyl)propanamide
CID 170052716
N',N'-dioctylhexanediamide
CID 53437404
3-octadecylsulfanylpropanamide
CID 21260142
N'-nonyl-N'-undecylbutanediamide;propane
CID 172578364
3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771223
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl(propanoyl)amino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethylsulfanyl]-N,N-di(tetradecyl)propanamide
CID 172945128
3-(2-amino-2-oxoethyl)sulfanyl-N,N-diethylpropanamide
CID 60734352
N-butyl-N-octyldecanamide
CID 18913402
3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride
CID 119294872
4-(dibutylamino)butanamide
CID 57071614
N-(2-aminoethyl)-N-butylheptanamide
CID 114754100

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide?
The IUPAC name of 3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide (CID 23451991) is 3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide.
What is the SMILES notation for 3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide?
The canonical SMILES for 3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide is CCCCN(CCCC)C(=O)CCSCCC(N)=O.
What is the InChIKey of 3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide?
The InChIKey is DQUSHDQMSJMQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-5-9-16(10-6-4-2)14(18)8-12-19-11-7-13(15)17/h3-12H2,1-2H3,(H2,15,17).
What are the key properties of 3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide?
3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide has a molecular weight of 288.46 g/mol, XLogP of 2.41, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide is sourced from PubChem (CID 23451991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).