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

C17H33NO2S — CID 79910778

IUPAC2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H33NO2S/c1-5-16(4,18(6-2)7-3)15(19)14-8-10-20-17(12-14)9-11-21-13-17/h14-15,19H,5-13H2,1-4H3
InChIKeyLBEXFCICAOXPEN-UHFFFAOYSA-N
MW315.52 g/mol
LogP3.16
Rot. Bonds6

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

2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol (PubChem CID 79910778) has the molecular formula C17H33NO2S and a molecular weight of 315.52 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
PubChem CID79910778
Molecular FormulaC17H33NO2S
Molecular Weight315.52 g/mol
Exact Mass315.22
IUPAC Name2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H33NO2S/c1-5-16(4,18(6-2)7-3)15(19)14-8-10-20-17(12-14)9-11-21-13-17/h14-15,19H,5-13H2,1-4H3
InChIKeyLBEXFCICAOXPEN-UHFFFAOYSA-N
XLogP3.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
CID 103449203
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-one
CID 79893882
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
CID 103459601
[1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921312
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971
2-ethyl-2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116760457
2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 116726119
2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116758405
2-methoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine
CID 116758127
(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823537

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol?
The IUPAC name of 2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol (CID 79910778) is 2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol.
What is the SMILES notation for 2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol?
The canonical SMILES for 2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol is CCN(CC)C(C)(CC)C(O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol?
The InChIKey is LBEXFCICAOXPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2S/c1-5-16(4,18(6-2)7-3)15(19)14-8-10-20-17(12-14)9-11-21-13-17/h14-15,19H,5-13H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol?
2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol has a molecular weight of 315.52 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol is sourced from PubChem (CID 79910778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).