methyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate

C8H18N2O2S2 — CID 87111909

IUPACmethyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate
SMILESCCNCCSSCCNC(=O)OC
InChIInChI=1S/C8H18N2O2S2/c1-3-9-4-6-13-14-7-5-10-8(11)12-2/h9H,3-7H2,1-2H3,(H,10,11)
InChIKeyNYNBASPNIVMFHD-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.33
Rot. Bonds8

About methyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate

methyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate (PubChem CID 87111909) has the molecular formula C8H18N2O2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is methyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate
PubChem CID87111909
Molecular FormulaC8H18N2O2S2
Molecular Weight238.38 g/mol
Exact Mass238.08
IUPAC Namemethyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate
SMILESCCNCCSSCCNC(=O)OC
InChIInChI=1S/C8H18N2O2S2/c1-3-9-4-6-13-14-7-5-10-8(11)12-2/h9H,3-7H2,1-2H3,(H,10,11)
InChIKeyNYNBASPNIVMFHD-UHFFFAOYSA-N
XLogP1.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.33
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'}

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Related Compounds

N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]-4-oxoheptanamide
CID 142404366
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
tert-butyl N-[2-(2-aminooxyethyldisulfanyl)ethyl]carbamate
CID 59824687
methyl N-(2-aminoethyl)carbamate;propane
CID 160898455
methyl N-[2-(propanoylamino)ethyl]carbamate
CID 108574125
methyl N-(4-methylsulfanylbutyl)carbamate
CID 115637048
methyl N-(2-fluoroethyl)carbamate
CID 14512865
methyl N-nonylcarbamate
CID 5102101
N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 56621011
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N'-[2-[2-[[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]butanediamide
CID 50942114
methyl N-(2-trimethylsilylethyl)carbamate
CID 130010810

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate?
The IUPAC name of methyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate (CID 87111909) is methyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate is CCNCCSSCCNC(=O)OC.
What is the InChIKey of methyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate?
The InChIKey is NYNBASPNIVMFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S2/c1-3-9-4-6-13-14-7-5-10-8(11)12-2/h9H,3-7H2,1-2H3,(H,10,11).
What are the key properties of methyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate?
methyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate has a molecular weight of 238.38 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-(ethylamino)ethyldisulfanyl]ethyl]carbamate is sourced from PubChem (CID 87111909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).