N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide

C16H23NO3S — CID 94220216

IUPACN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C16H23NO3S/c18-15(5-4-13-6-9-21-12-13)17-10-14-11-19-16(20-14)7-2-1-3-8-16/h6,9,12,14H,1-5,7-8,10-11H2,(H,17,18)/t14-/m1/s1
InChIKeyYYXWTIHJRZVPOI-CQSZACIVSA-N
MW309.43 g/mol
LogP2.87
Rot. Bonds5

About N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide

N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide (PubChem CID 94220216) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide
PubChem CID94220216
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C16H23NO3S/c18-15(5-4-13-6-9-21-12-13)17-10-14-11-19-16(20-14)7-2-1-3-8-16/h6,9,12,14H,1-5,7-8,10-11H2,(H,17,18)/t14-/m1/s1
InChIKeyYYXWTIHJRZVPOI-CQSZACIVSA-N
XLogP2.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide (CID 94220216) is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)NC[C@@H]1COC2(CCCCC2)O1.
What is the InChIKey of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide?
The InChIKey is YYXWTIHJRZVPOI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23NO3S/c18-15(5-4-13-6-9-21-12-13)17-10-14-11-19-16(20-14)7-2-1-3-8-16/h6,9,12,14H,1-5,7-8,10-11H2,(H,17,18)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide?
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide has a molecular weight of 309.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 94220216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).