N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

C14H20N2S2 — CID 114178930

IUPACN-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCCC(NC1=NC2CCCC2CS1)c1cccs1
InChIInChI=1S/C14H20N2S2/c1-2-11(13-7-4-8-17-13)15-14-16-12-6-3-5-10(12)9-18-14/h4,7-8,10-12H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyCHAHVNTULOKQMD-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.06
Rot. Bonds3

About N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (PubChem CID 114178930) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
PubChem CID114178930
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC NameN-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCCC(NC1=NC2CCCC2CS1)c1cccs1
InChIInChI=1S/C14H20N2S2/c1-2-11(13-7-4-8-17-13)15-14-16-12-6-3-5-10(12)9-18-14/h4,7-8,10-12H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyCHAHVNTULOKQMD-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine with MolForge

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Related Compounds

4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline
CID 43726275
N-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363861
2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336493
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
N-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 19771561
N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine
CID 115893597
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
N-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363783
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43110218
3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile
CID 80510343
5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
CID 80739715
2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 43673863

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The IUPAC name of N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (CID 114178930) is N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.
What is the SMILES notation for N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The canonical SMILES for N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is CCC(NC1=NC2CCCC2CS1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The InChIKey is CHAHVNTULOKQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-2-11(13-7-4-8-17-13)15-14-16-12-6-3-5-10(12)9-18-14/h4,7-8,10-12H,2-3,5-6,9H2,1H3,(H,15,16).
What are the key properties of N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine has a molecular weight of 280.46 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is sourced from PubChem (CID 114178930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).