(2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol

C9H23N3S2 — CID 134314118

IUPAC(2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol
SMILESCNC[C@](C)(CS)NC[C@H](CS)NC
InChIInChI=1S/C9H23N3S2/c1-9(7-14,6-10-2)12-4-8(5-13)11-3/h8,10-14H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyZOPYYQAJSREQIC-RKDXNWHRSA-N
MW237.44 g/mol
LogP0.00
Rot. Bonds8

About (2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol

(2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol (PubChem CID 134314118) has the molecular formula C9H23N3S2 and a molecular weight of 237.44 g/mol. Its IUPAC name is (2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol.

Molecular Properties

Compound Name(2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol
PubChem CID134314118
Molecular FormulaC9H23N3S2
Molecular Weight237.44 g/mol
Exact Mass237.13
IUPAC Name(2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol
SMILESCNC[C@](C)(CS)NC[C@H](CS)NC
InChIInChI=1S/C9H23N3S2/c1-9(7-14,6-10-2)12-4-8(5-13)11-3/h8,10-14H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyZOPYYQAJSREQIC-RKDXNWHRSA-N
XLogP0.00
TPSA36.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.44
LogP ≤ 50.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol 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

1-[[3-Amino-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]-2-methylpropane-2-thiol;trihydrochloride
CID 13526560
N,N'-bis[1-(methylsulfanylmethyl)propyl]ethane-1,2-diamine
CID 16727461
2-[2-[1-(Sulfanylmethyl)propylamino]ethylamino]butane-1-thiol
CID 16727462
N,N'-bis(2-mercapto-2-methylpropyl)ethylenediamine
CID 450118
2,2,9,9-Tetramethyl-4,7-diaza-1,10-decanedithiol
CID 22491787
1-[[3-Amino-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]-2-methylpropane-2-thiol
CID 13401100
N-[2-[2-(tert-butylamino)ethyldisulfanyl]ethyl]-2-methylpropan-2-amine
CID 13808944
(2S)-2-fluoro-2-[[2-fluoro-2-(methylamino)-3-sulfanylpropyl]amino]-3-(methylamino)propane-1-thiol
CID 134313980
2-[[(2S)-2-(ethylamino)-2-fluoro-3-sulfanylpropyl]amino]-2-fluoro-3-(methylamino)propane-1-thiol
CID 134313983
(2R)-2-fluoro-2-(methylamino)-3-[[(2S)-1-(methylamino)-3-sulfanylpropan-2-yl]amino]propane-1-thiol
CID 134314007
(2S)-3-(ethylamino)-2-[[2-(ethylamino)-2-fluoro-3-sulfanylpropyl]amino]-2-fluoropropane-1-thiol
CID 134314012
(2S)-2-[[2-(ethylamino)-2-fluoro-3-sulfanylpropyl]amino]-2-fluoro-3-(methylamino)propane-1-thiol
CID 134314013

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol?
The IUPAC name of (2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol (CID 134314118) is (2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol.
What is the SMILES notation for (2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol?
The canonical SMILES for (2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol is CNC[C@](C)(CS)NC[C@H](CS)NC.
What is the InChIKey of (2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol?
The InChIKey is ZOPYYQAJSREQIC-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H23N3S2/c1-9(7-14,6-10-2)12-4-8(5-13)11-3/h8,10-14H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol?
(2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol has a molecular weight of 237.44 g/mol, XLogP of 0.00, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-(methylamino)-2-[[(2R)-2-(methylamino)-3-sulfanylpropyl]amino]propane-1-thiol is sourced from PubChem (CID 134314118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).