3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol

C10H24N2S — CID 103192376

IUPAC3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol
SMILESCCN(CCCS)C(C)CN(C)C
InChIInChI=1S/C10H24N2S/c1-5-12(7-6-8-13)10(2)9-11(3)4/h10,13H,5-9H2,1-4H3
InChIKeyMKQYXSZJZCIZKI-UHFFFAOYSA-N
MW204.38 g/mol
LogP1.58
Rot. Bonds7

About 3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol

3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol (PubChem CID 103192376) has the molecular formula C10H24N2S and a molecular weight of 204.38 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol
PubChem CID103192376
Molecular FormulaC10H24N2S
Molecular Weight204.38 g/mol
Exact Mass204.17
IUPAC Name3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol
SMILESCCN(CCCS)C(C)CN(C)C
InChIInChI=1S/C10H24N2S/c1-5-12(7-6-8-13)10(2)9-11(3)4/h10,13H,5-9H2,1-4H3
InChIKeyMKQYXSZJZCIZKI-UHFFFAOYSA-N
XLogP1.58
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol?
The IUPAC name of 3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol (CID 103192376) is 3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol is CCN(CCCS)C(C)CN(C)C.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol?
The InChIKey is MKQYXSZJZCIZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S/c1-5-12(7-6-8-13)10(2)9-11(3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of 3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol?
3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol has a molecular weight of 204.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol is sourced from PubChem (CID 103192376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).