2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol

C11H26N2S2 — CID 10428904

IUPAC2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol
SMILESCN(CCNCC(C)(C)S)CC(C)(C)S
InChIInChI=1S/C11H26N2S2/c1-10(2,14)8-12-6-7-13(5)9-11(3,4)15/h12,14-15H,6-9H2,1-5H3
InChIKeyAMEVWSYYLMKUPL-UHFFFAOYSA-N
MW250.48 g/mol
LogP1.92
Rot. Bonds7

About 2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol

2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol (PubChem CID 10428904) has the molecular formula C11H26N2S2 and a molecular weight of 250.48 g/mol. Its IUPAC name is 2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol.

Molecular Properties

Compound Name2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol
PubChem CID10428904
Molecular FormulaC11H26N2S2
Molecular Weight250.48 g/mol
Exact Mass250.15
IUPAC Name2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol
SMILESCN(CCNCC(C)(C)S)CC(C)(C)S
InChIInChI=1S/C11H26N2S2/c1-10(2,14)8-12-6-7-13(5)9-11(3,4)15/h12,14-15H,6-9H2,1-5H3
InChIKeyAMEVWSYYLMKUPL-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115622503
2-methyl-1-(propylamino)propane-2-thiol
CID 118074642
5-[(2-methyl-2-sulfanylpropyl)-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]pentanamide
CID 23209130
1-N,3-N-bis[2-(ethylamino)ethyl]-2-[[2-(ethylamino)ethylamino]methyl]-2-N,3-N-dimethylpropane-1,2,3-triamine
CID 123480428
1-(ethylamino)-2-methylpropane-2-thiol
CID 13049084
N'-[2-(dimethylamino)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28572535
1-(dimethylamino)-3-[2-(dimethylamino)ethylamino]-2-methylpropan-2-ol
CID 106147764
1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine
CID 59355176
2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-2-methylbutan-1-ol
CID 81419046
N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride
CID 115607183
2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol
CID 15635979
N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine
CID 146334947

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol?
The IUPAC name of 2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol (CID 10428904) is 2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol.
What is the SMILES notation for 2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol?
The canonical SMILES for 2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol is CN(CCNCC(C)(C)S)CC(C)(C)S.
What is the InChIKey of 2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol?
The InChIKey is AMEVWSYYLMKUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S2/c1-10(2,14)8-12-6-7-13(5)9-11(3,4)15/h12,14-15H,6-9H2,1-5H3.
What are the key properties of 2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol?
2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol has a molecular weight of 250.48 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol is sourced from PubChem (CID 10428904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).