3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide

C18H36N2O2S — CID 2932343

IUPAC3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCSCCC(=O)N(CCC)CCC
InChIInChI=1S/C18H36N2O2S/c1-5-11-19(12-6-2)17(21)9-15-23-16-10-18(22)20(13-7-3)14-8-4/h5-16H2,1-4H3
InChIKeyKRYUTYRBUPYMMJ-UHFFFAOYSA-N
MW344.57 g/mol
LogP3.80
Rot. Bonds14

About 3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide

3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide (PubChem CID 2932343) has the molecular formula C18H36N2O2S and a molecular weight of 344.57 g/mol. Its IUPAC name is 3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide
PubChem CID2932343
Molecular FormulaC18H36N2O2S
Molecular Weight344.57 g/mol
Exact Mass344.25
IUPAC Name3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCSCCC(=O)N(CCC)CCC
InChIInChI=1S/C18H36N2O2S/c1-5-11-19(12-6-2)17(21)9-15-23-16-10-18(22)20(13-7-3)14-8-4/h5-16H2,1-4H3
InChIKeyKRYUTYRBUPYMMJ-UHFFFAOYSA-N
XLogP3.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3'-sulfanediylbis[N,N-bis(2-methylpropyl)propanamide]
CID 4581019
4,8,14,20-Tetrathia-1,11-diazabicyclo[9.6.6]tricosane-2,10-dione
CID 168328891
N,N-Dibutyl-3-[2-dibutylcarbamoyl(ethylthio)]propionamide
CID 559874
2,2-Thiobis(acetamide), N,N,N',N'-tetrabutyl-
CID 581783
Bis(N,N-Diethylacetamidyl)sulfoxide
CID 588305
N,N-Dibutyl-2-dibutylcarbamoylmethanesulfinyl-acetamide
CID 598403
N,N-Dibutyl-2-[2-(dibutylcarbamoylmethylthio)ethylthio]acetamide
CID 615385
N,N-di(butan-2-yl)-3-[3-[di(butan-2-yl)amino]-3-oxopropyl]sulfanylpropanamide
CID 3505821
N-[[5-[[acetyl(tert-butyl)amino]methyl]-1,4-dithian-2-yl]methyl]-N-tert-butylacetamide
CID 11961373
S-[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ethanethioate
CID 14857886
2-(acetylthio)-N-butyl-N-methylacetamide
CID 19708694
3-[2-[3-(dimethylamino)-3-oxopropyl]sulfanylethylsulfanyl]-N,N-dimethylpropanamide
CID 21610562

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide?
The IUPAC name of 3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide (CID 2932343) is 3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide.
What is the SMILES notation for 3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide?
The canonical SMILES for 3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCSCCC(=O)N(CCC)CCC.
What is the InChIKey of 3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide?
The InChIKey is KRYUTYRBUPYMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2S/c1-5-11-19(12-6-2)17(21)9-15-23-16-10-18(22)20(13-7-3)14-8-4/h5-16H2,1-4H3.
What are the key properties of 3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide?
3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide has a molecular weight of 344.57 g/mol, XLogP of 3.80, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dipropylamino)-3-oxopropyl]sulfanyl-N,N-dipropylpropanamide is sourced from PubChem (CID 2932343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).