3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol

C15H29NO2S — CID 106115395

IUPAC3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCOC2(CCSC2)C1
InChIInChI=1S/C15H29NO2S/c1-2-3-13(4-7-17)11-16-14-5-8-18-15(10-14)6-9-19-12-15/h13-14,16-17H,2-12H2,1H3
InChIKeyLFMOBAVOJKGKFG-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.43
Rot. Bonds7

About 3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol

3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol (PubChem CID 106115395) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol
PubChem CID106115395
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCOC2(CCSC2)C1
InChIInChI=1S/C15H29NO2S/c1-2-3-13(4-7-17)11-16-14-5-8-18-15(10-14)6-9-19-12-15/h13-14,16-17H,2-12H2,1H3
InChIKeyLFMOBAVOJKGKFG-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903700
3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol
CID 106114365
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208
3-[(thian-4-ylamino)methyl]hexan-1-ol
CID 111470638
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107166637
N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895635
2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol
CID 106176597
3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106285723
2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903949
2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide
CID 106174800
3-[(thiolan-3-ylamino)methyl]hexan-1-ol
CID 115725378
N'-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106045761

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol (CID 106115395) is 3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol is CCCC(CCO)CNC1CCOC2(CCSC2)C1.
What is the InChIKey of 3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol?
The InChIKey is LFMOBAVOJKGKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-2-3-13(4-7-17)11-16-14-5-8-18-15(10-14)6-9-19-12-15/h13-14,16-17H,2-12H2,1H3.
What are the key properties of 3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol?
3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol has a molecular weight of 287.47 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol is sourced from PubChem (CID 106115395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).