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

C13H32N2O2S — CID 145373239

IUPACethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide
SMILESCC.CC.CCCNC(=O)CCS(=O)CCNC
InChIInChI=1S/C9H20N2O2S.2C2H6/c1-3-5-11-9(12)4-7-14(13)8-6-10-2;2*1-2/h10H,3-8H2,1-2H3,(H,11,12);2*1-2H3
InChIKeyDEKINIRERGBOMW-UHFFFAOYSA-N
MW280.48 g/mol
LogP1.92
Rot. Bonds8

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

ethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide (PubChem CID 145373239) has the molecular formula C13H32N2O2S and a molecular weight of 280.48 g/mol. Its IUPAC name is ethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide.

Molecular Properties

Compound Nameethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide
PubChem CID145373239
Molecular FormulaC13H32N2O2S
Molecular Weight280.48 g/mol
Exact Mass280.22
IUPAC Nameethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide
SMILESCC.CC.CCCNC(=O)CCS(=O)CCNC
InChIInChI=1S/C9H20N2O2S.2C2H6/c1-3-5-11-9(12)4-7-14(13)8-6-10-2;2*1-2/h10H,3-8H2,1-2H3,(H,11,12);2*1-2H3
InChIKeyDEKINIRERGBOMW-UHFFFAOYSA-N
XLogP1.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide
CID 145289156
N-(3,3-dimethylbutyl)-3-[2-(methylamino)ethylsulfinyl]propanamide
CID 146579682
3-bromo-N-propylpropanamide
CID 12680973
ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide
CID 145216593
N,N'-dipropyldecanediamide
CID 102239298
N-[3-(methylamino)propyl]butanamide
CID 43600791
ethane;N-propylheptanamide
CID 145289188
2-(butanoylamino)ethylphosphonic acid
CID 88586980
3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
CID 59688102
ethane;3-propoxy-N-propylpropanamide
CID 163269237
ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide
CID 145076855
ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide
CID 145117047

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide?
The IUPAC name of ethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide (CID 145373239) is ethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide.
What is the SMILES notation for ethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide?
The canonical SMILES for ethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide is CC.CC.CCCNC(=O)CCS(=O)CCNC.
What is the InChIKey of ethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide?
The InChIKey is DEKINIRERGBOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S.2C2H6/c1-3-5-11-9(12)4-7-14(13)8-6-10-2;2*1-2/h10H,3-8H2,1-2H3,(H,11,12);2*1-2H3.
What are the key properties of ethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide?
ethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide has a molecular weight of 280.48 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide is sourced from PubChem (CID 145373239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).