5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol

C15H29NO3S — CID 103391340

IUPAC5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol
SMILESCOCC(O)(CCCN)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H29NO3S/c1-18-12-15(17,4-2-7-16)13-3-8-19-14(11-13)5-9-20-10-6-14/h13,17H,2-12,16H2,1H3
InChIKeyOXFMUQCDRRYRKV-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.80
Rot. Bonds6

About 5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol

5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol (PubChem CID 103391340) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol.

Molecular Properties

Compound Name5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol
PubChem CID103391340
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC Name5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol
SMILESCOCC(O)(CCCN)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H29NO3S/c1-18-12-15(17,4-2-7-16)13-3-8-19-14(11-13)5-9-20-10-6-14/h13,17H,2-12,16H2,1H3
InChIKeyOXFMUQCDRRYRKV-UHFFFAOYSA-N
XLogP1.80
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 81014334
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hex-5-en-2-ol
CID 113437950
5-amino-2-cyclobutyl-1-methoxypentan-2-ol
CID 103391375
2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine
CID 79912770
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylbutan-1-amine
CID 81023004
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-ol
CID 79898847
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine
CID 79893870
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol
CID 104656218
3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
CID 103027641
N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N'-propylpropane-1,3-diamine
CID 79904584
2-amino-2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one
CID 116557096
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol?
The IUPAC name of 5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol (CID 103391340) is 5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol.
What is the SMILES notation for 5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol?
The canonical SMILES for 5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol is COCC(O)(CCCN)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol?
The InChIKey is OXFMUQCDRRYRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-18-12-15(17,4-2-7-16)13-3-8-19-14(11-13)5-9-20-10-6-14/h13,17H,2-12,16H2,1H3.
What are the key properties of 5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol?
5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol has a molecular weight of 303.47 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methoxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-2-ol is sourced from PubChem (CID 103391340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).