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

C11H18N2S2 — CID 106363783

IUPACN-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESC1CC2CSC(NC3CCSC3)=NC2C1
InChIInChI=1S/C11H18N2S2/c1-2-8-6-15-11(13-10(8)3-1)12-9-4-5-14-7-9/h8-10H,1-7H2,(H,12,13)
InChIKeyGDIHXWQLVYDLNC-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.35
Rot. Bonds1

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

N-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (PubChem CID 106363783) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.

Molecular Properties

Compound NameN-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
PubChem CID106363783
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC NameN-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESC1CC2CSC(NC3CCSC3)=NC2C1
InChIInChI=1S/C11H18N2S2/c1-2-8-6-15-11(13-10(8)3-1)12-9-4-5-14-7-9/h8-10H,1-7H2,(H,12,13)
InChIKeyGDIHXWQLVYDLNC-UHFFFAOYSA-N
XLogP2.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363861
N-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363309
N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363578
N-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363049
N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363576
N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106362995
N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363396
2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine
CID 106363567
N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363703
4-ethyl-N-(thiolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 103063789
4-propan-2-yl-N-(thian-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107858171
N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363216

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The IUPAC name of N-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (CID 106363783) is N-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.
What is the SMILES notation for N-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The canonical SMILES for N-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is C1CC2CSC(NC3CCSC3)=NC2C1.
What is the InChIKey of N-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The InChIKey is GDIHXWQLVYDLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-2-8-6-15-11(13-10(8)3-1)12-9-4-5-14-7-9/h8-10H,1-7H2,(H,12,13).
What are the key properties of N-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
N-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is sourced from PubChem (CID 106363783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).