ethane;methanethiol;N-nonylpropanamide

C17H41NOS — CID 177150000

IUPACethane;methanethiol;N-nonylpropanamide
SMILESCC.CC.CCCCCCCCCNC(=O)CC.CS
InChIInChI=1S/C12H25NO.2C2H6.CH4S/c1-3-5-6-7-8-9-10-11-13-12(14)4-2;3*1-2/h3-11H2,1-2H3,(H,13,14);2*1-2H3;2H,1H3
InChIKeyDJSKAQAMMCRKNR-UHFFFAOYSA-N
MW307.59 g/mol
LogP5.86
Rot. Bonds9

About ethane;methanethiol;N-nonylpropanamide

ethane;methanethiol;N-nonylpropanamide (PubChem CID 177150000) has the molecular formula C17H41NOS and a molecular weight of 307.59 g/mol. Its IUPAC name is ethane;methanethiol;N-nonylpropanamide.

Molecular Properties

Compound Nameethane;methanethiol;N-nonylpropanamide
PubChem CID177150000
Molecular FormulaC17H41NOS
Molecular Weight307.59 g/mol
Exact Mass307.29
IUPAC Nameethane;methanethiol;N-nonylpropanamide
SMILESCC.CC.CCCCCCCCCNC(=O)CC.CS
InChIInChI=1S/C12H25NO.2C2H6.CH4S/c1-3-5-6-7-8-9-10-11-13-12(14)4-2;3*1-2/h3-11H2,1-2H3,(H,13,14);2*1-2H3;2H,1H3
InChIKeyDJSKAQAMMCRKNR-UHFFFAOYSA-N
XLogP5.86
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.59
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;N-undecylpropanamide
CID 155706114
ethane;N-pentyl-6-(propanoylamino)hexanamide
CID 166555695
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
ethane;N'-heptyl-N-hexylpentanediamide
CID 154688673
N-[5-[5-(propylamino)pentylamino]pentyl]propanamide
CID 58435562
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of ethane;methanethiol;N-nonylpropanamide?
The IUPAC name of ethane;methanethiol;N-nonylpropanamide (CID 177150000) is ethane;methanethiol;N-nonylpropanamide.
What is the SMILES notation for ethane;methanethiol;N-nonylpropanamide?
The canonical SMILES for ethane;methanethiol;N-nonylpropanamide is CC.CC.CCCCCCCCCNC(=O)CC.CS.
What is the InChIKey of ethane;methanethiol;N-nonylpropanamide?
The InChIKey is DJSKAQAMMCRKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.2C2H6.CH4S/c1-3-5-6-7-8-9-10-11-13-12(14)4-2;3*1-2/h3-11H2,1-2H3,(H,13,14);2*1-2H3;2H,1H3.
What are the key properties of ethane;methanethiol;N-nonylpropanamide?
ethane;methanethiol;N-nonylpropanamide has a molecular weight of 307.59 g/mol, XLogP of 5.86, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanethiol;N-nonylpropanamide is sourced from PubChem (CID 177150000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).