dimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane

C18H41NO4S3 — CID 142801156

IUPACdimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane
SMILESCC.COC.COCOC.O=C(CCCCC1CCSS1)NCCCS
InChIInChI=1S/C11H21NOS3.C3H8O2.C2H6O.C2H6/c13-11(12-7-3-8-14)5-2-1-4-10-6-9-15-16-10;1-4-3-5-2;1-3-2;1-2/h10,14H,1-9H2,(H,12,13);3H2,1-2H3;1-2H3;1-2H3
InChIKeyCAIHQBTZJOHTFU-UHFFFAOYSA-N
MW431.73 g/mol
LogP4.66
Rot. Bonds10

About dimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane

dimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane (PubChem CID 142801156) has the molecular formula C18H41NO4S3 and a molecular weight of 431.73 g/mol. Its IUPAC name is dimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane.

Molecular Properties

Compound Namedimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane
PubChem CID142801156
Molecular FormulaC18H41NO4S3
Molecular Weight431.73 g/mol
Exact Mass431.22
IUPAC Namedimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane
SMILESCC.COC.COCOC.O=C(CCCCC1CCSS1)NCCCS
InChIInChI=1S/C11H21NOS3.C3H8O2.C2H6O.C2H6/c13-11(12-7-3-8-14)5-2-1-4-10-6-9-15-16-10;1-4-3-5-2;1-3-2;1-2/h10,14H,1-9H2,(H,12,13);3H2,1-2H3;1-2H3;1-2H3
InChIKeyCAIHQBTZJOHTFU-UHFFFAOYSA-N
XLogP4.66
TPSA56.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.73
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-[(3R)-dithiolan-3-yl]-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 99737286
5-[(3S)-dithiolan-3-yl]-N-(3-hydroxypropyl)pentanamide
CID 96544742
5-(dithiolan-3-yl)-N-[2-[(2-hydroxyacetyl)amino]ethyl]pentanamide
CID 87772162
3-[5-(dithiolan-3-yl)pentanoylamino]propane-1-sulfonic acid
CID 91864609
9-(dithiolan-3-yl)-N-[3-(2-methylprop-2-enoylamino)propyl]nonanamide
CID 118143890
2-[2-[5-(dithiolan-3-yl)pentanoylamino]ethoxy]ethylcarbamic acid
CID 154463574
N-[2-(2-aminoethoxy)ethyl]-5-(dithiolan-3-yl)pentanamide
CID 118421599
2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 165344082
methyl N-[4-(dithiolan-3-yl)butyl]carbamate
CID 18358080
5-(dithiolan-3-yl)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 91757887
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 77078205
(E)-4-[2-[5-(dithiolan-3-yl)pentanoylamino]ethylamino]-2-methyl-4-oxobut-2-enoic acid
CID 44609293

Frequently Asked Questions

What is the IUPAC name of dimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane?
The IUPAC name of dimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane (CID 142801156) is dimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane.
What is the SMILES notation for dimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane?
The canonical SMILES for dimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane is CC.COC.COCOC.O=C(CCCCC1CCSS1)NCCCS.
What is the InChIKey of dimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane?
The InChIKey is CAIHQBTZJOHTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS3.C3H8O2.C2H6O.C2H6/c13-11(12-7-3-8-14)5-2-1-4-10-6-9-15-16-10;1-4-3-5-2;1-3-2;1-2/h10,14H,1-9H2,(H,12,13);3H2,1-2H3;1-2H3;1-2H3.
What are the key properties of dimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane?
dimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane has a molecular weight of 431.73 g/mol, XLogP of 4.66, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethane;5-(dithiolan-3-yl)-N-(3-sulfanylpropyl)pentanamide;ethane;methoxymethane is sourced from PubChem (CID 142801156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).