N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C15H28N2S — CID 79949021

IUPACN-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC1(C)CCSCC1NC1CCN2CCCCC12
InChIInChI=1S/C15H28N2S/c1-15(2)7-10-18-11-14(15)16-12-6-9-17-8-4-3-5-13(12)17/h12-14,16H,3-11H2,1-2H3
InChIKeyYVJNPNUKEAIDKG-UHFFFAOYSA-N
MW268.47 g/mol
LogP2.73
Rot. Bonds2

About N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 79949021) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID79949021
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC1(C)CCSCC1NC1CCN2CCCCC12
InChIInChI=1S/C15H28N2S/c1-15(2)7-10-18-11-14(15)16-12-6-9-17-8-4-3-5-13(12)17/h12-14,16H,3-11H2,1-2H3
InChIKeyYVJNPNUKEAIDKG-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine with MolForge

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Related Compounds

4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine
CID 79948975
N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694307
N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine
CID 114544200
N-cyclopropyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852848
4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide
CID 79948097
trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol
CID 102733298
N-(1,3-dimethylpiperidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115709714
N-[(1S)-1-cyclohexylethyl]-4,4-dimethylthian-3-amine
CID 81387257
N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine
CID 79948037
N-(4,4-dimethylthian-3-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 79947930
N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 83228828
1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide
CID 65465504

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 79949021) is N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CC1(C)CCSCC1NC1CCN2CCCCC12.
What is the InChIKey of N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is YVJNPNUKEAIDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-15(2)7-10-18-11-14(15)16-12-6-9-17-8-4-3-5-13(12)17/h12-14,16H,3-11H2,1-2H3.
What are the key properties of N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 268.47 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 79949021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).