N-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine

C10H23NS2 — CID 575117

IUPACN-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCCSSCCN(C(C)C)C(C)C
InChIInChI=1S/C10H23NS2/c1-6-12-13-8-7-11(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyLWXPMIASGKKZGJ-UHFFFAOYSA-N
MW221.43 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine

N-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 575117) has the molecular formula C10H23NS2 and a molecular weight of 221.43 g/mol. Its IUPAC name is N-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID575117
Molecular FormulaC10H23NS2
Molecular Weight221.43 g/mol
Exact Mass221.13
IUPAC NameN-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCCSSCCN(C(C)C)C(C)C
InChIInChI=1S/C10H23NS2/c1-6-12-13-8-7-11(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyLWXPMIASGKKZGJ-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Diisopropylaminoethanethiol
CID 111102
Tetraethylcystamine
CID 30986
Butyl diethylcarbamo(dithioperoxo)thioate
CID 20400595
Isopropyl diethylcarbamo(dithioperoxo)thioate
CID 46197112
butan-2-ylsulfanyl N,N-diethylcarbamodithioate
CID 46886844
[2-(Methylsulfanyl)ethyl]bis(propan-2-yl)amine
CID 13829095
propylsulfanyl N,N-diethylcarbamodithioate
CID 145989273
Bis(diisopropylaminoethyl)disulfide
CID 47609
2-Diisopropylaminoethyl ethyl sulfide
CID 517942
2-(Diisopropylamino)ethanethiol hydrochloride
CID 3084829
N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide
CID 35706
2-(Dimethylamino)propane-1,3-dithiol
CID 121233

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine (CID 575117) is N-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine is CCSSCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is LWXPMIASGKKZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS2/c1-6-12-13-8-7-11(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of N-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 221.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethyldisulfanyl)ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 575117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).