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

C12H28N2S2 — CID 15635979

IUPAC2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol
SMILESCC(C)(S)CNCC(C)(C)NCC(C)(C)S
InChIInChI=1S/C12H28N2S2/c1-10(2,14-9-12(5,6)16)7-13-8-11(3,4)15/h13-16H,7-9H2,1-6H3
InChIKeyGVTMNVRJJHRBJP-UHFFFAOYSA-N
MW264.50 g/mol
LogP2.36
Rot. Bonds7

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

2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol (PubChem CID 15635979) has the molecular formula C12H28N2S2 and a molecular weight of 264.50 g/mol. Its IUPAC name is 2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol.

Molecular Properties

Compound Name2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol
PubChem CID15635979
Molecular FormulaC12H28N2S2
Molecular Weight264.50 g/mol
Exact Mass264.17
IUPAC Name2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol
SMILESCC(C)(S)CNCC(C)(C)NCC(C)(C)S
InChIInChI=1S/C12H28N2S2/c1-10(2,14-9-12(5,6)16)7-13-8-11(3,4)15/h13-16H,7-9H2,1-6H3
InChIKeyGVTMNVRJJHRBJP-UHFFFAOYSA-N
XLogP2.36
TPSA24.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.50
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol?
The IUPAC name of 2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol (CID 15635979) is 2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol.
What is the SMILES notation for 2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol?
The canonical SMILES for 2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol is CC(C)(S)CNCC(C)(C)NCC(C)(C)S.
What is the InChIKey of 2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol?
The InChIKey is GVTMNVRJJHRBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S2/c1-10(2,14-9-12(5,6)16)7-13-8-11(3,4)15/h13-16H,7-9H2,1-6H3.
What are the key properties of 2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol?
2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol has a molecular weight of 264.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol is sourced from PubChem (CID 15635979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).