trans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane

C6H13NO2S — CID 89197528

IUPACtrans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane
SMILESC[C@H]1CC[C@H](NS(=O)O)C1
InChIInChI=1S/C6H13NO2S/c1-5-2-3-6(4-5)7-10(8)9/h5-7H,2-4H2,1H3,(H,8,9)/t5-,6-/m0/s1
InChIKeyZJURKOKNNXWFOB-WDSKDSINSA-N
MW163.24 g/mol
LogP0.90
Rot. Bonds2

About trans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane

trans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane (PubChem CID 89197528) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is trans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane.

Molecular Properties

Compound Nametrans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane
PubChem CID89197528
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Nametrans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane
SMILESC[C@H]1CC[C@H](NS(=O)O)C1
InChIInChI=1S/C6H13NO2S/c1-5-2-3-6(4-5)7-10(8)9/h5-7H,2-4H2,1H3,(H,8,9)/t5-,6-/m0/s1
InChIKeyZJURKOKNNXWFOB-WDSKDSINSA-N
XLogP0.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze trans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane?
The IUPAC name of trans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane (CID 89197528) is trans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane.
What is the SMILES notation for trans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane?
The canonical SMILES for trans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane is C[C@H]1CC[C@H](NS(=O)O)C1.
What is the InChIKey of trans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane?
The InChIKey is ZJURKOKNNXWFOB-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-5-2-3-6(4-5)7-10(8)9/h5-7H,2-4H2,1H3,(H,8,9)/t5-,6-/m0/s1.
What are the key properties of trans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane?
trans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane has a molecular weight of 163.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1-methyl-3-(sulfinoamino)cyclopentane is sourced from PubChem (CID 89197528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).