5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide

C14H28N2O2S2 — CID 146499201

IUPAC5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)CCCCOCSSCCNC(C)C
InChIInChI=1S/C14H28N2O2S2/c1-4-8-16-14(17)7-5-6-10-18-12-20-19-11-9-15-13(2)3/h4,13,15H,1,5-12H2,2-3H3,(H,16,17)
InChIKeyONMKMWIGDIWFIR-UHFFFAOYSA-N
MW320.52 g/mol
LogP2.81
Rot. Bonds14

About 5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide

5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide (PubChem CID 146499201) has the molecular formula C14H28N2O2S2 and a molecular weight of 320.52 g/mol. Its IUPAC name is 5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide
PubChem CID146499201
Molecular FormulaC14H28N2O2S2
Molecular Weight320.52 g/mol
Exact Mass320.16
IUPAC Name5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)CCCCOCSSCCNC(C)C
InChIInChI=1S/C14H28N2O2S2/c1-4-8-16-14(17)7-5-6-10-18-12-20-19-11-9-15-13(2)3/h4,13,15H,1,5-12H2,2-3H3,(H,16,17)
InChIKeyONMKMWIGDIWFIR-UHFFFAOYSA-N
XLogP2.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]hexan-2-one
CID 153336667
8-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]octan-4-one
CID 139445208
1-(2-pent-2-ynoxyethylamino)-6-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]hexan-2-one
CID 153366133
molecular hydrogen;4-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]butyl N-but-2-ynylcarbamate
CID 169266897
4-ethoxy-N-prop-2-enylbutanamide
CID 112728026
CID 153336610
CID 153336610
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925
N-prop-2-enyloctanamide
CID 4071942
N-ethyl-3-[3-(propan-2-ylamino)propoxy]propanamide
CID 62342053
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide
CID 19207254
2-methyl-9-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]nonane-3,6-dione;2-methyl-9-[2-(propan-2-ylamino)ethyldisulfanyl]nonane-3,6-dione
CID 159457900

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide?
The IUPAC name of 5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide (CID 146499201) is 5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide.
What is the SMILES notation for 5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide?
The canonical SMILES for 5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide is C=CCNC(=O)CCCCOCSSCCNC(C)C.
What is the InChIKey of 5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide?
The InChIKey is ONMKMWIGDIWFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S2/c1-4-8-16-14(17)7-5-6-10-18-12-20-19-11-9-15-13(2)3/h4,13,15H,1,5-12H2,2-3H3,(H,16,17).
What are the key properties of 5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide?
5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide has a molecular weight of 320.52 g/mol, XLogP of 2.81, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide is sourced from PubChem (CID 146499201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).