2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol

C10H24N2S4 — CID 57154416

IUPAC2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol
SMILESCNC(SSC(NC)C(C)(C)S)C(C)(C)S
InChIInChI=1S/C10H24N2S4/c1-9(2,13)7(11-5)15-16-8(12-6)10(3,4)14/h7-8,11-14H,1-6H3
InChIKeyMFIPHJCLMXJLAT-UHFFFAOYSA-N
MW300.58 g/mol
LogP2.88
Rot. Bonds7

About 2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol

2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol (PubChem CID 57154416) has the molecular formula C10H24N2S4 and a molecular weight of 300.58 g/mol. Its IUPAC name is 2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol.

Molecular Properties

Compound Name2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol
PubChem CID57154416
Molecular FormulaC10H24N2S4
Molecular Weight300.58 g/mol
Exact Mass300.08
IUPAC Name2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol
SMILESCNC(SSC(NC)C(C)(C)S)C(C)(C)S
InChIInChI=1S/C10H24N2S4/c1-9(2,13)7(11-5)15-16-8(12-6)10(3,4)14/h7-8,11-14H,1-6H3
InChIKeyMFIPHJCLMXJLAT-UHFFFAOYSA-N
XLogP2.88
TPSA24.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[3-(Dimethylazaniumyl)propyldisulfanyl]propyl-dimethylazanium
CID 57669041
N-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine
CID 88637766
N-methyl-3-[3-(methylamino)propyldisulfanyl]propan-1-amine
CID 89407677
3-[3-(Ethylamino)propyldisulfanyl]propan-1-amine
CID 129142641
3-(2,2-Dimethylpropylamino)propane-1,2-dithiol
CID 132153816
2-methyl-N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]propan-1-amine
CID 134557899
2-[3-(Dimethylazaniumyl)propyldisulfanyl]ethyl-trimethylazanium
CID 140672841
2-[2-(Methylamino)ethyldisulfanyl]ethanamine;propane
CID 145050947
(1S)-1-(tert-butyldisulfanyl)-N-methylpropan-1-amine
CID 154990411
N,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine
CID 155022032
3-Amino-2-(aminomethyl)propane-1-thiol;3-(methylamino)-2-(methylaminomethyl)propane-1-thiol
CID 157681239
N,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine
CID 160788676

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol?
The IUPAC name of 2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol (CID 57154416) is 2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol.
What is the SMILES notation for 2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol?
The canonical SMILES for 2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol is CNC(SSC(NC)C(C)(C)S)C(C)(C)S.
What is the InChIKey of 2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol?
The InChIKey is MFIPHJCLMXJLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S4/c1-9(2,13)7(11-5)15-16-8(12-6)10(3,4)14/h7-8,11-14H,1-6H3.
What are the key properties of 2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol?
2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol has a molecular weight of 300.58 g/mol, XLogP of 2.88, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol is sourced from PubChem (CID 57154416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).