N,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine

C10H24N2S2 — CID 23422460

IUPACN,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine
SMILESCSCCCNCCNCCCSC
InChIInChI=1S/C10H24N2S2/c1-13-9-3-5-11-7-8-12-6-4-10-14-2/h11-12H,3-10H2,1-2H3
InChIKeyOVKVRVFFKUFRIO-UHFFFAOYSA-N
MW236.45 g/mol
LogP1.67
Rot. Bonds11

About N,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine

N,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine (PubChem CID 23422460) has the molecular formula C10H24N2S2 and a molecular weight of 236.45 g/mol. Its IUPAC name is N,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine
PubChem CID23422460
Molecular FormulaC10H24N2S2
Molecular Weight236.45 g/mol
Exact Mass236.14
IUPAC NameN,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine
SMILESCSCCCNCCNCCCSC
InChIInChI=1S/C10H24N2S2/c1-13-9-3-5-11-7-8-12-6-4-10-14-2/h11-12H,3-10H2,1-2H3
InChIKeyOVKVRVFFKUFRIO-UHFFFAOYSA-N
XLogP1.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[1-(methylsulfanylmethyl)propyl]ethane-1,2-diamine
CID 16727461
2-[2-[1-(Sulfanylmethyl)propylamino]ethylamino]butane-1-thiol
CID 16727462
N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261792
N'-(2-butylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261859
1,11-Dithia-4,8-diazacyclotetradecane
CID 432579
1,8-Dithia-4,11-diazacyclotetradecane
CID 16036409
2,2,9,9-Tetramethyl-4,7-diaza-1,10-decanedithiol
CID 22491787
N'-(2-propylsulfanylethyl)ethane-1,2-diamine
CID 11171146
1,4,7-Trithia-10,13-diazacyclopentadecane
CID 11651878
1,4,7-Trithia-11-azacyclotetradecane
CID 11954528
1,4-Dithia-8,11-diazacyclotetradecane
CID 23422511
1,5-Dithia-9,13-diazacyclohexadecane
CID 23422512

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine (CID 23422460) is N,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine is CSCCCNCCNCCCSC.
What is the InChIKey of N,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine?
The InChIKey is OVKVRVFFKUFRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S2/c1-13-9-3-5-11-7-8-12-6-4-10-14-2/h11-12H,3-10H2,1-2H3.
What are the key properties of N,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine?
N,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine has a molecular weight of 236.45 g/mol, XLogP of 1.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-methylsulfanylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 23422460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).