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

C16H28N2S — CID 106363049

IUPACN-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCCCC1CCC(NC2=NC3CCCC3CS2)CC1
InChIInChI=1S/C16H28N2S/c1-2-4-12-7-9-14(10-8-12)17-16-18-15-6-3-5-13(15)11-19-16/h12-15H,2-11H2,1H3,(H,17,18)
InChIKeyKVDOXBXFOHQOLZ-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.21
Rot. Bonds3

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

N-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (PubChem CID 106363049) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.

Molecular Properties

Compound NameN-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
PubChem CID106363049
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCCCC1CCC(NC2=NC3CCCC3CS2)CC1
InChIInChI=1S/C16H28N2S/c1-2-4-12-7-9-14(10-8-12)17-16-18-15-6-3-5-13(15)11-19-16/h12-15H,2-11H2,1H3,(H,17,18)
InChIKeyKVDOXBXFOHQOLZ-UHFFFAOYSA-N
XLogP4.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-propylcyclohexyl)-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-(3-ethylpentan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 114178995
N-(1-cyclopropylbutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363343
N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106362995
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-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363703
N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363216
N-(4-propoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363205
4-benzyl-N-(4-ethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261659
N-(1-methylsulfonylpropan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 114178991
4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine
CID 63540876

Frequently Asked Questions

What is the IUPAC name of N-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The IUPAC name of N-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (CID 106363049) is N-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.
What is the SMILES notation for N-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The canonical SMILES for N-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is CCCC1CCC(NC2=NC3CCCC3CS2)CC1.
What is the InChIKey of N-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The InChIKey is KVDOXBXFOHQOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-2-4-12-7-9-14(10-8-12)17-16-18-15-6-3-5-13(15)11-19-16/h12-15H,2-11H2,1H3,(H,17,18).
What are the key properties of N-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
N-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine has a molecular weight of 280.48 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylcyclohexyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is sourced from PubChem (CID 106363049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).