[1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

C16H29NO2S — CID 79921312

IUPAC[1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCN(C)C1(C(O)C2CCOC3(CCSC3)C2)CCCC1
InChIInChI=1S/C16H29NO2S/c1-17(2)16(6-3-4-7-16)14(18)13-5-9-19-15(11-13)8-10-20-12-15/h13-14,18H,3-12H2,1-2H3
InChIKeyUJDGGGBULRXXCR-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.52
Rot. Bonds3

About [1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

[1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (PubChem CID 79921312) has the molecular formula C16H29NO2S and a molecular weight of 299.48 g/mol. Its IUPAC name is [1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name[1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
PubChem CID79921312
Molecular FormulaC16H29NO2S
Molecular Weight299.48 g/mol
Exact Mass299.19
IUPAC Name[1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCN(C)C1(C(O)C2CCOC3(CCSC3)C2)CCCC1
InChIInChI=1S/C16H29NO2S/c1-17(2)16(6-3-4-7-16)14(18)13-5-9-19-15(11-13)8-10-20-12-15/h13-14,18H,3-12H2,1-2H3
InChIKeyUJDGGGBULRXXCR-UHFFFAOYSA-N
XLogP2.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79921401
(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
1-[hydroxy(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452227
(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823537
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 107443240
3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
CID 103459601
2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79910778
2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
CID 103449203
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-one
CID 79893882
(3,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912808

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of [1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (CID 79921312) is [1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for [1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for [1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is CN(C)C1(C(O)C2CCOC3(CCSC3)C2)CCCC1.
What is the InChIKey of [1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The InChIKey is UJDGGGBULRXXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2S/c1-17(2)16(6-3-4-7-16)14(18)13-5-9-19-15(11-13)8-10-20-12-15/h13-14,18H,3-12H2,1-2H3.
What are the key properties of [1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
[1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol has a molecular weight of 299.48 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79921312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).