sulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol

C7H19NOS2 — CID 160802037

IUPACsulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
SMILESS.S.[2H]C([2H])([2H])[C@](C)(O)[C@@H]1CCCN1
InChIInChI=1S/C7H15NO.2H2S/c1-7(2,9)6-4-3-5-8-6;;/h6,8-9H,3-5H2,1-2H3;2*1H2/t6-;;/m0../s1/i1D3;;/t6-,7+;;
InChIKeySDEVRJGJWMJQEQ-WZOABKLTSA-N
MW200.39 g/mol
LogP0.73
Rot. Bonds2

About sulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol

sulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol (PubChem CID 160802037) has the molecular formula C7H19NOS2 and a molecular weight of 200.39 g/mol. Its IUPAC name is sulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Namesulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
PubChem CID160802037
Molecular FormulaC7H19NOS2
Molecular Weight200.39 g/mol
Exact Mass200.11
IUPAC Namesulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
SMILESS.S.[2H]C([2H])([2H])[C@](C)(O)[C@@H]1CCCN1
InChIInChI=1S/C7H15NO.2H2S/c1-7(2,9)6-4-3-5-8-6;;/h6,8-9H,3-5H2,1-2H3;2*1H2/t6-;;/m0../s1/i1D3;;/t6-,7+;;
InChIKeySDEVRJGJWMJQEQ-WZOABKLTSA-N
XLogP0.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of sulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol (CID 160802037) is sulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for sulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for sulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol is S.S.[2H]C([2H])([2H])[C@](C)(O)[C@@H]1CCCN1.
What is the InChIKey of sulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
The InChIKey is SDEVRJGJWMJQEQ-WZOABKLTSA-N. The full InChI is InChI=1S/C7H15NO.2H2S/c1-7(2,9)6-4-3-5-8-6;;/h6,8-9H,3-5H2,1-2H3;2*1H2/t6-;;/m0../s1/i1D3;;/t6-,7+;;.
What are the key properties of sulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
sulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol has a molecular weight of 200.39 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;(2S)-1,1,1-trideuterio-2-[(2S)-pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 160802037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).