3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol

C15H29NO3S — CID 66137561

IUPAC3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol
SMILESCCCNC1CCC2(CC1SC(C)CCO)OCCO2
InChIInChI=1S/C15H29NO3S/c1-3-7-16-13-4-6-15(18-9-10-19-15)11-14(13)20-12(2)5-8-17/h12-14,16-17H,3-11H2,1-2H3
InChIKeyHIGIKZGHLGPDNI-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.15
Rot. Bonds7

About 3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol

3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol (PubChem CID 66137561) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol
PubChem CID66137561
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC Name3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol
SMILESCCCNC1CCC2(CC1SC(C)CCO)OCCO2
InChIInChI=1S/C15H29NO3S/c1-3-7-16-13-4-6-15(18-9-10-19-15)11-14(13)20-12(2)5-8-17/h12-14,16-17H,3-11H2,1-2H3
InChIKeyHIGIKZGHLGPDNI-UHFFFAOYSA-N
XLogP2.15
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol with MolForge

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Related Compounds

3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol
CID 66136218
3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol
CID 66136887
3-[[8-(ethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-2-ol
CID 107772699
3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol
CID 66135997
ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 14552387
ethyl (7S,8S)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 18632328
N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64644910
3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol
CID 66139118
7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64653912
7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 63685078
N-ethyl-7-(2-methoxyethylsulfanyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64612372
3-[3-(propylamino)cyclohexyl]sulfanylbutan-1-ol
CID 66137117

Frequently Asked Questions

What is the IUPAC name of 3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol?
The IUPAC name of 3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol (CID 66137561) is 3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol.
What is the SMILES notation for 3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol?
The canonical SMILES for 3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol is CCCNC1CCC2(CC1SC(C)CCO)OCCO2.
What is the InChIKey of 3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol?
The InChIKey is HIGIKZGHLGPDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-3-7-16-13-4-6-15(18-9-10-19-15)11-14(13)20-12(2)5-8-17/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol?
3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol has a molecular weight of 303.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol is sourced from PubChem (CID 66137561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).