ethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide

C14H34N2O2S — CID 145289156

IUPACethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide
SMILESCC.CC.CCCNC(=O)CCS(=O)CCNCC
InChIInChI=1S/C10H22N2O2S.2C2H6/c1-3-6-12-10(13)5-8-15(14)9-7-11-4-2;2*1-2/h11H,3-9H2,1-2H3,(H,12,13);2*1-2H3
InChIKeyBEAWQVFYYANBGY-UHFFFAOYSA-N
MW294.50 g/mol
LogP2.31
Rot. Bonds9

About ethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide

ethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide (PubChem CID 145289156) has the molecular formula C14H34N2O2S and a molecular weight of 294.50 g/mol. Its IUPAC name is ethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide.

Molecular Properties

Compound Nameethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide
PubChem CID145289156
Molecular FormulaC14H34N2O2S
Molecular Weight294.50 g/mol
Exact Mass294.23
IUPAC Nameethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide
SMILESCC.CC.CCCNC(=O)CCS(=O)CCNCC
InChIInChI=1S/C10H22N2O2S.2C2H6/c1-3-6-12-10(13)5-8-15(14)9-7-11-4-2;2*1-2/h11H,3-9H2,1-2H3,(H,12,13);2*1-2H3
InChIKeyBEAWQVFYYANBGY-UHFFFAOYSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.50
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide
CID 145373239
4-(ethylamino)-N-propylbutanamide
CID 168958611
3-[2-(ethylamino)ethoxy]-N-propylpropanamide
CID 171508192
3-bromo-N-propylpropanamide
CID 12680973
ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide
CID 145216593
3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 155228791
N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide
CID 146579682
N,N'-dipropyldecanediamide
CID 102239298
ethane;N-propylheptanamide
CID 145289188
N-[2-(ethylamino)ethyl]dodecanamide
CID 65426365
N-[5-[2-(ethylamino)ethylamino]pentyl]butanamide;molecular hydrogen
CID 156795142
N-[3-(ethylamino)propyl]pentanamide;molecular hydrogen
CID 171627803

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide?
The IUPAC name of ethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide (CID 145289156) is ethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide.
What is the SMILES notation for ethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide?
The canonical SMILES for ethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide is CC.CC.CCCNC(=O)CCS(=O)CCNCC.
What is the InChIKey of ethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide?
The InChIKey is BEAWQVFYYANBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S.2C2H6/c1-3-6-12-10(13)5-8-15(14)9-7-11-4-2;2*1-2/h11H,3-9H2,1-2H3,(H,12,13);2*1-2H3.
What are the key properties of ethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide?
ethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide has a molecular weight of 294.50 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide is sourced from PubChem (CID 145289156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).