[(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol

C10H19NOS — CID 14715133

IUPAC[(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol
SMILESN[C@@H]1[C@H](CO)CSC12CCCCC2
InChIInChI=1S/C10H19NOS/c11-9-8(6-12)7-13-10(9)4-2-1-3-5-10/h8-9,12H,1-7,11H2/t8-,9-/m1/s1
InChIKeyNXMKSDZRYFTUEQ-RKDXNWHRSA-N
MW201.33 g/mol
LogP1.37
Rot. Bonds1

About [(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol

[(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol (PubChem CID 14715133) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is [(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol
PubChem CID14715133
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name[(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol
SMILESN[C@@H]1[C@H](CO)CSC12CCCCC2
InChIInChI=1S/C10H19NOS/c11-9-8(6-12)7-13-10(9)4-2-1-3-5-10/h8-9,12H,1-7,11H2/t8-,9-/m1/s1
InChIKeyNXMKSDZRYFTUEQ-RKDXNWHRSA-N
XLogP1.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dithiaspiro[5.5]undecan-3-ol
CID 22891774
[(2R)-spiro[2.5]octan-2-yl]methanol
CID 129372228
(3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol
CID 25257315
[2-(2-azaspiro[3.5]nonan-2-yl)cyclohexyl]methanol
CID 114179212
(1-aminocyclodecyl)methanol
CID 66910735
[(1R,2S)-2-aminocyclobutyl]methanol;hydrochloride
CID 162342272
(6S,8R,9R,10S)-10-amino-6-(hydroxymethyl)spiro[4.5]decane-8,9-diol;hydrochloride
CID 11651736
(1S,4aR,8aR)-1-(hydroxymethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 10607560
[(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride
CID 17039395
1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115437973
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol (CID 14715133) is [(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol is N[C@@H]1[C@H](CO)CSC12CCCCC2.
What is the InChIKey of [(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol?
The InChIKey is NXMKSDZRYFTUEQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19NOS/c11-9-8(6-12)7-13-10(9)4-2-1-3-5-10/h8-9,12H,1-7,11H2/t8-,9-/m1/s1.
What are the key properties of [(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol?
[(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol has a molecular weight of 201.33 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-amino-1-thiaspiro[4.5]decan-3-yl]methanol is sourced from PubChem (CID 14715133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).