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

C16H20N2S — CID 106363861

IUPACN-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESc1ccc2c(c1)CC(NC1=NC3CCCC3CS1)C2
InChIInChI=1S/C16H20N2S/c1-2-5-12-9-14(8-11(12)4-1)17-16-18-15-7-3-6-13(15)10-19-16/h1-2,4-5,13-15H,3,6-10H2,(H,17,18)
InChIKeyBYOVPVIYENFGNW-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.01
Rot. Bonds1

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

N-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (PubChem CID 106363861) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
PubChem CID106363861
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESc1ccc2c(c1)CC(NC1=NC3CCCC3CS1)C2
InChIInChI=1S/C16H20N2S/c1-2-5-12-9-14(8-11(12)4-1)17-16-18-15-7-3-6-13(15)10-19-16/h1-2,4-5,13-15H,3,6-10H2,(H,17,18)
InChIKeyBYOVPVIYENFGNW-UHFFFAOYSA-N
XLogP3.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(thiolan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363783
N-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363309
N-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107853215
N-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363049
N-(1-phenylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106362593
5-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114009280
N-(2,3-dihydro-1H-inden-5-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106362713
N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363578
N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363576
N-(2-tert-butylphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363353
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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (CID 106363861) is N-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is c1ccc2c(c1)CC(NC1=NC3CCCC3CS1)C2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The InChIKey is BYOVPVIYENFGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-5-12-9-14(8-11(12)4-1)17-16-18-15-7-3-6-13(15)10-19-16/h1-2,4-5,13-15H,3,6-10H2,(H,17,18).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
N-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine has a molecular weight of 272.42 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is sourced from PubChem (CID 106363861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).