2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol

C14H27NO2S — CID 107443240

IUPAC2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
SMILESCC(C)C(CN)C(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H27NO2S/c1-10(2)12(8-15)13(16)11-3-5-17-14(7-11)4-6-18-9-14/h10-13,16H,3-9,15H2,1-2H3
InChIKeyGPQOQWUMCPODRP-UHFFFAOYSA-N
MW273.44 g/mol
LogP1.88
Rot. Bonds4

About 2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol

2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol (PubChem CID 107443240) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
PubChem CID107443240
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
SMILESCC(C)C(CN)C(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H27NO2S/c1-10(2)12(8-15)13(16)11-3-5-17-14(7-11)4-6-18-9-14/h10-13,16H,3-9,15H2,1-2H3
InChIKeyGPQOQWUMCPODRP-UHFFFAOYSA-N
XLogP1.88
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
CID 103459601
1-[hydroxy(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452227
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
CID 103449203
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170685
3-amino-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 116564639
2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 103516939
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-one
CID 79893882
[1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921312
4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol
CID 79923999

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol (CID 107443240) is 2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol is CC(C)C(CN)C(O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol?
The InChIKey is GPQOQWUMCPODRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-10(2)12(8-15)13(16)11-3-5-17-14(7-11)4-6-18-9-14/h10-13,16H,3-9,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol?
2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol has a molecular weight of 273.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol is sourced from PubChem (CID 107443240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).