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

C7H19NOS2 — CID 160802036

IUPAC2-[(2S)-pyrrolidin-2-yl]propan-2-ol;sulfane
SMILESCC(C)(O)[C@@H]1CCCN1.S.S
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
InChIKeySDEVRJGJWMJQEQ-ILKKLZGPSA-N
MW197.37 g/mol
LogP0.73
Rot. Bonds1

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

2-[(2S)-pyrrolidin-2-yl]propan-2-ol;sulfane (PubChem CID 160802036) has the molecular formula C7H19NOS2 and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]propan-2-ol;sulfane.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]propan-2-ol;sulfane
PubChem CID160802036
Molecular FormulaC7H19NOS2
Molecular Weight197.37 g/mol
Exact Mass197.09
IUPAC Name2-[(2S)-pyrrolidin-2-yl]propan-2-ol;sulfane
SMILESCC(C)(O)[C@@H]1CCCN1.S.S
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
InChIKeySDEVRJGJWMJQEQ-ILKKLZGPSA-N
XLogP0.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]propan-2-ol;sulfane?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]propan-2-ol;sulfane (CID 160802036) is 2-[(2S)-pyrrolidin-2-yl]propan-2-ol;sulfane.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]propan-2-ol;sulfane?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]propan-2-ol;sulfane is CC(C)(O)[C@@H]1CCCN1.S.S.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]propan-2-ol;sulfane?
The InChIKey is SDEVRJGJWMJQEQ-ILKKLZGPSA-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.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]propan-2-ol;sulfane?
2-[(2S)-pyrrolidin-2-yl]propan-2-ol;sulfane has a molecular weight of 197.37 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]propan-2-ol;sulfane is sourced from PubChem (CID 160802036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).