[2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol

C7H13NOS — CID 84650942

IUPAC[2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol
SMILESNCC1(CO)CC12CSC2
InChIInChI=1S/C7H13NOS/c8-2-6(3-9)1-7(6)4-10-5-7/h9H,1-5,8H2
InChIKeyXWAZKRHWYOGBRB-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.06
Rot. Bonds2

About [2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol

[2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol (PubChem CID 84650942) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is [2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol
PubChem CID84650942
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name[2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol
SMILESNCC1(CO)CC12CSC2
InChIInChI=1S/C7H13NOS/c8-2-6(3-9)1-7(6)4-10-5-7/h9H,1-5,8H2
InChIKeyXWAZKRHWYOGBRB-UHFFFAOYSA-N
XLogP0.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol?
The IUPAC name of [2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol (CID 84650942) is [2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol.
What is the SMILES notation for [2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol?
The canonical SMILES for [2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol is NCC1(CO)CC12CSC2.
What is the InChIKey of [2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol?
The InChIKey is XWAZKRHWYOGBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c8-2-6(3-9)1-7(6)4-10-5-7/h9H,1-5,8H2.
What are the key properties of [2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol?
[2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol has a molecular weight of 159.25 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol is sourced from PubChem (CID 84650942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).