[2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol

C10H19NO3S — CID 65050172

IUPAC[2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol
SMILESCS(=O)(=O)C1CCCC12CC2(CN)CO
InChIInChI=1S/C10H19NO3S/c1-15(13,14)8-3-2-4-10(8)5-9(10,6-11)7-12/h8,12H,2-7,11H2,1H3
InChIKeySBOPWHBVIVVPQC-UHFFFAOYSA-N
MW233.33 g/mol
LogP-0.09
Rot. Bonds3

About [2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol

[2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol (PubChem CID 65050172) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is [2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol
PubChem CID65050172
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name[2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol
SMILESCS(=O)(=O)C1CCCC12CC2(CN)CO
InChIInChI=1S/C10H19NO3S/c1-15(13,14)8-3-2-4-10(8)5-9(10,6-11)7-12/h8,12H,2-7,11H2,1H3
InChIKeySBOPWHBVIVVPQC-UHFFFAOYSA-N
XLogP-0.09
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol?
The IUPAC name of [2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol (CID 65050172) is [2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol.
What is the SMILES notation for [2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol?
The canonical SMILES for [2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol is CS(=O)(=O)C1CCCC12CC2(CN)CO.
What is the InChIKey of [2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol?
The InChIKey is SBOPWHBVIVVPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-15(13,14)8-3-2-4-10(8)5-9(10,6-11)7-12/h8,12H,2-7,11H2,1H3.
What are the key properties of [2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol?
[2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol has a molecular weight of 233.33 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-7-methylsulfonylspiro[2.4]heptan-2-yl]methanol is sourced from PubChem (CID 65050172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).