trans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide

C5H11NO2S — CID 165459914

IUPACtrans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide
SMILESNS(=O)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C5H11NO2S/c6-9(8)5-3-1-2-4(5)7/h4-5,7H,1-3,6H2/t4-,5-,9?/m1/s1
InChIKeyLFVIMMXVPSJWCK-DALOQNNESA-N
MW149.21 g/mol
LogP-0.48
Rot. Bonds1

About trans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide

trans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide (PubChem CID 165459914) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is trans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide
PubChem CID165459914
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Nametrans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide
SMILESNS(=O)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C5H11NO2S/c6-9(8)5-3-1-2-4(5)7/h4-5,7H,1-3,6H2/t4-,5-,9?/m1/s1
InChIKeyLFVIMMXVPSJWCK-DALOQNNESA-N
XLogP-0.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide?
The IUPAC name of trans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide (CID 165459914) is trans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide.
What is the SMILES notation for trans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide?
The canonical SMILES for trans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide is NS(=O)[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide?
The InChIKey is LFVIMMXVPSJWCK-DALOQNNESA-N. The full InChI is InChI=1S/C5H11NO2S/c6-9(8)5-3-1-2-4(5)7/h4-5,7H,1-3,6H2/t4-,5-,9?/m1/s1.
What are the key properties of trans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide?
trans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide has a molecular weight of 149.21 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-hydroxycyclopentane-1-sulfinamide is sourced from PubChem (CID 165459914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).