N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine

C12H23NO3S — CID 104814286

IUPACN-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(CS(C)=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H23NO3S/c1-10(9-17(2)14)13-11-3-5-12(6-4-11)15-7-8-16-12/h10-11,13H,3-9H2,1-2H3
InChIKeyUMGCMDJJJVGEBC-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.03
Rot. Bonds4

About N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 104814286) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID104814286
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC NameN-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(CS(C)=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H23NO3S/c1-10(9-17(2)14)13-11-3-5-12(6-4-11)15-7-8-16-12/h10-11,13H,3-9H2,1-2H3
InChIKeyUMGCMDJJJVGEBC-UHFFFAOYSA-N
XLogP1.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methylsulfinylpropan-2-yl)-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

N-(1-methylsulfinylpropan-2-yl)cyclobutanamine
CID 104530811
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,N-dimethylpropanamide
CID 43573998
N-(1-methylsulfinylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 113460023
N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81390369
N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81387414
N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60943738
2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477178
N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 99701525
(1S,3S)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-thiophen-2-ylbutan-1-ol
CID 99702550
N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61473059
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide
CID 43750672
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutane-1-sulfonamide
CID 78942691

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 104814286) is N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine is CC(CS(C)=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is UMGCMDJJJVGEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-10(9-17(2)14)13-11-3-5-12(6-4-11)15-7-8-16-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 261.39 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 104814286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).