[4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol

C14H25NO3S — CID 106297981

IUPAC[4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol
SMILESOCC1(NC2CCOC3(CCSC3)C2)CCOCC1
InChIInChI=1S/C14H25NO3S/c16-10-13(2-6-17-7-3-13)15-12-1-5-18-14(9-12)4-8-19-11-14/h12,15-16H,1-11H2
InChIKeyJUAFBUSSHLJKCT-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.17
Rot. Bonds3

About [4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol

[4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol (PubChem CID 106297981) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is [4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol
PubChem CID106297981
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name[4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol
SMILESOCC1(NC2CCOC3(CCSC3)C2)CCOCC1
InChIInChI=1S/C14H25NO3S/c16-10-13(2-6-17-7-3-13)15-12-1-5-18-14(9-12)4-8-19-11-14/h12,15-16H,1-11H2
InChIKeyJUAFBUSSHLJKCT-UHFFFAOYSA-N
XLogP1.17
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol
CID 79899613
2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903949
N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80713723
2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol
CID 106176597
2-cyclopropyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)acetic acid
CID 79893976
1,1-dimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hydrazine
CID 83015202
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107166637
3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol
CID 106115395
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903700
5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one
CID 79903904
1-cyclooctyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97234883

Frequently Asked Questions

What is the IUPAC name of [4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol (CID 106297981) is [4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol is OCC1(NC2CCOC3(CCSC3)C2)CCOCC1.
What is the InChIKey of [4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol?
The InChIKey is JUAFBUSSHLJKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c16-10-13(2-6-17-7-3-13)15-12-1-5-18-14(9-12)4-8-19-11-14/h12,15-16H,1-11H2.
What are the key properties of [4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol?
[4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol has a molecular weight of 287.43 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol is sourced from PubChem (CID 106297981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).