ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide

C15H33NO2S — CID 145216593

IUPACethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide
SMILESCC.CCCNC(=O)CCCCCS(=O)CC(C)C
InChIInChI=1S/C13H27NO2S.C2H6/c1-4-9-14-13(15)8-6-5-7-10-17(16)11-12(2)3;1-2/h12H,4-11H2,1-3H3,(H,14,15);1-2H3
InChIKeyBICHMCHIBWBCBV-UHFFFAOYSA-N
MW291.50 g/mol
LogP3.50
Rot. Bonds10

About ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide

ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide (PubChem CID 145216593) has the molecular formula C15H33NO2S and a molecular weight of 291.50 g/mol. Its IUPAC name is ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide.

Molecular Properties

Compound Nameethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide
PubChem CID145216593
Molecular FormulaC15H33NO2S
Molecular Weight291.50 g/mol
Exact Mass291.22
IUPAC Nameethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide
SMILESCC.CCCNC(=O)CCCCCS(=O)CC(C)C
InChIInChI=1S/C13H27NO2S.C2H6/c1-4-9-14-13(15)8-6-5-7-10-17(16)11-12(2)3;1-2/h12H,4-11H2,1-3H3,(H,14,15);1-2H3
InChIKeyBICHMCHIBWBCBV-UHFFFAOYSA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dipropyldecanediamide
CID 102239298
ethane;N-propylheptanamide
CID 145289188
5-(2-methylpropylsulfinyl)pentanoic acid
CID 61304363
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
12-oxo-N-propyltridecanamide
CID 135223938
sodium;hydride;N-propyldodecanamide
CID 172999662
8-oxo-N-propyldecanamide
CID 156819961
N-[2-(3-methylbutanoylamino)ethyl]dodecanamide
CID 90261922
N-butyl-7-methyloctanamide
CID 154028337
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407

Frequently Asked Questions

What is the IUPAC name of ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide?
The IUPAC name of ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide (CID 145216593) is ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide.
What is the SMILES notation for ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide?
The canonical SMILES for ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide is CC.CCCNC(=O)CCCCCS(=O)CC(C)C.
What is the InChIKey of ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide?
The InChIKey is BICHMCHIBWBCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S.C2H6/c1-4-9-14-13(15)8-6-5-7-10-17(16)11-12(2)3;1-2/h12H,4-11H2,1-3H3,(H,14,15);1-2H3.
What are the key properties of ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide?
ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide has a molecular weight of 291.50 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide is sourced from PubChem (CID 145216593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).