(1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane

C6H17NOS2 — CID 160824434

IUPAC(1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane
SMILESC[C@H](O)[C@H]1CCNC1.S.S
InChIInChI=1S/C6H13NO.2H2S/c1-5(8)6-2-3-7-4-6;;/h5-8H,2-4H2,1H3;2*1H2/t5-,6-;;/m0../s1
InChIKeySFYYSROPNXBFNL-USPAICOZSA-N
MW183.34 g/mol
LogP0.20
Rot. Bonds1

About (1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane

(1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane (PubChem CID 160824434) has the molecular formula C6H17NOS2 and a molecular weight of 183.34 g/mol. Its IUPAC name is (1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane.

Molecular Properties

Compound Name(1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane
PubChem CID160824434
Molecular FormulaC6H17NOS2
Molecular Weight183.34 g/mol
Exact Mass183.08
IUPAC Name(1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane
SMILESC[C@H](O)[C@H]1CCNC1.S.S
InChIInChI=1S/C6H13NO.2H2S/c1-5(8)6-2-3-7-4-6;;/h5-8H,2-4H2,1H3;2*1H2/t5-,6-;;/m0../s1
InChIKeySFYYSROPNXBFNL-USPAICOZSA-N
XLogP0.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane?
The IUPAC name of (1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane (CID 160824434) is (1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane.
What is the SMILES notation for (1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane?
The canonical SMILES for (1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane is C[C@H](O)[C@H]1CCNC1.S.S.
What is the InChIKey of (1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane?
The InChIKey is SFYYSROPNXBFNL-USPAICOZSA-N. The full InChI is InChI=1S/C6H13NO.2H2S/c1-5(8)6-2-3-7-4-6;;/h5-8H,2-4H2,1H3;2*1H2/t5-,6-;;/m0../s1.
What are the key properties of (1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane?
(1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane has a molecular weight of 183.34 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane is sourced from PubChem (CID 160824434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).