N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine

C14H21NO2S — CID 28683986

IUPACN-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@@H](NC1CCC2(CC1)OCCO2)c1cccs1
InChIInChI=1S/C14H21NO2S/c1-11(13-3-2-10-18-13)15-12-4-6-14(7-5-12)16-8-9-17-14/h2-3,10-12,15H,4-9H2,1H3/t11-/m1/s1
InChIKeyKLRRIWOHHUFQBM-LLVKDONJSA-N
MW267.39 g/mol
LogP3.08
Rot. Bonds3

About N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 28683986) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID28683986
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@@H](NC1CCC2(CC1)OCCO2)c1cccs1
InChIInChI=1S/C14H21NO2S/c1-11(13-3-2-10-18-13)15-12-4-6-14(7-5-12)16-8-9-17-14/h2-3,10-12,15H,4-9H2,1H3/t11-/m1/s1
InChIKeyKLRRIWOHHUFQBM-LLVKDONJSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3S)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-thiophen-2-ylbutan-1-ol
CID 99702550
N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62842188
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
N-[(1S)-1-thiophen-2-ylethyl]oxepan-4-amine
CID 81398399
N-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81379198
N-[(1R)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398410
N-[(1S)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398144
N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28623453
4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909
N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 43202101
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 28544170

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 28683986) is N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine is C[C@@H](NC1CCC2(CC1)OCCO2)c1cccs1.
What is the InChIKey of N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is KLRRIWOHHUFQBM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(13-3-2-10-18-13)15-12-4-6-14(7-5-12)16-8-9-17-14/h2-3,10-12,15H,4-9H2,1H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 267.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 28683986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).