N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine

C16H25NOS — CID 79895083

IUPACN-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
SMILESCC(Cc1ccsc1)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C16H25NOS/c1-13(10-14-5-9-19-12-14)17-15-4-8-18-16(11-15)6-2-3-7-16/h5,9,12-13,15,17H,2-4,6-8,10-11H2,1H3
InChIKeyDIFLECAFNWGWJF-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.76
Rot. Bonds4

About N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine

N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79895083) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID79895083
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
SMILESCC(Cc1ccsc1)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C16H25NOS/c1-13(10-14-5-9-19-12-14)17-15-4-8-18-16(11-15)6-2-3-7-16/h5,9,12-13,15,17H,2-4,6-8,10-11H2,1H3
InChIKeyDIFLECAFNWGWJF-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61473059
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine
CID 105170153
N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine
CID 79903550
N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
N-(1-thiophen-3-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79904180
N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79903303
1-[(9R)-6-oxaspiro[4.5]decan-9-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97234996
1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97234998
N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895449
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86769678
N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
CID 79899013
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine (CID 79895083) is N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine is CC(Cc1ccsc1)NC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is DIFLECAFNWGWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-13(10-14-5-9-19-12-14)17-15-4-8-18-16(11-15)6-2-3-7-16/h5,9,12-13,15,17H,2-4,6-8,10-11H2,1H3.
What are the key properties of N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 279.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).