(2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol

C6H13NO2S — CID 88961577

IUPAC(2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol
SMILESCC[C@H](N=O)[C@@H](O)CSC
InChIInChI=1S/C6H13NO2S/c1-3-5(7-9)6(8)4-10-2/h5-6,8H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyUCUVWODWSVVJJT-WDSKDSINSA-N
MW163.24 g/mol
LogP1.26
Rot. Bonds5

About (2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol

(2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol (PubChem CID 88961577) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol.

Molecular Properties

Compound Name(2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol
PubChem CID88961577
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol
SMILESCC[C@H](N=O)[C@@H](O)CSC
InChIInChI=1S/C6H13NO2S/c1-3-5(7-9)6(8)4-10-2/h5-6,8H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyUCUVWODWSVVJJT-WDSKDSINSA-N
XLogP1.26
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol?
The IUPAC name of (2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol (CID 88961577) is (2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol.
What is the SMILES notation for (2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol?
The canonical SMILES for (2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol is CC[C@H](N=O)[C@@H](O)CSC.
What is the InChIKey of (2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol?
The InChIKey is UCUVWODWSVVJJT-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-5(7-9)6(8)4-10-2/h5-6,8H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol?
(2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol has a molecular weight of 163.24 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol is sourced from PubChem (CID 88961577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).