1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol

C16H29NO2S — CID 114952588

IUPAC1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H29NO2S/c1-17(13-15(18)5-2-3-6-15)14-4-9-19-16(12-14)7-10-20-11-8-16/h14,18H,2-13H2,1H3
InChIKeyNKGDJQPOELSAML-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.67
Rot. Bonds3

About 1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol

1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 114952588) has the molecular formula C16H29NO2S and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID114952588
Molecular FormulaC16H29NO2S
Molecular Weight299.48 g/mol
Exact Mass299.19
IUPAC Name1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H29NO2S/c1-17(13-15(18)5-2-3-6-15)14-4-9-19-16(12-14)7-10-20-11-8-16/h14,18H,2-13H2,1H3
InChIKeyNKGDJQPOELSAML-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol (CID 114952588) is 1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is NKGDJQPOELSAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2S/c1-17(13-15(18)5-2-3-6-15)14-4-9-19-16(12-14)7-10-20-11-8-16/h14,18H,2-13H2,1H3.
What are the key properties of 1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol?
1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 299.48 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114952588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).