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

C13H22N2OS — CID 106363918

IUPACN-(3-methoxycyclopentyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCOC1CCC(NC2=NC3CCCC3CS2)C1
InChIInChI=1S/C13H22N2OS/c1-16-11-6-5-10(7-11)14-13-15-12-4-2-3-9(12)8-17-13/h9-12H,2-8H2,1H3,(H,14,15)
InChIKeyMJEPWRBNYYRADD-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.41
Rot. Bonds2

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

N-(3-methoxycyclopentyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (PubChem CID 106363918) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-(3-methoxycyclopentyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.

Molecular Properties

Compound NameN-(3-methoxycyclopentyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
PubChem CID106363918
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-(3-methoxycyclopentyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCOC1CCC(NC2=NC3CCCC3CS2)C1
InChIInChI=1S/C13H22N2OS/c1-16-11-6-5-10(7-11)14-13-15-12-4-2-3-9(12)8-17-13/h9-12H,2-8H2,1H3,(H,14,15)
InChIKeyMJEPWRBNYYRADD-UHFFFAOYSA-N
XLogP2.41
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclopentyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The IUPAC name of N-(3-methoxycyclopentyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (CID 106363918) is N-(3-methoxycyclopentyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.
What is the SMILES notation for N-(3-methoxycyclopentyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The canonical SMILES for N-(3-methoxycyclopentyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is COC1CCC(NC2=NC3CCCC3CS2)C1.
What is the InChIKey of N-(3-methoxycyclopentyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The InChIKey is MJEPWRBNYYRADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-16-11-6-5-10(7-11)14-13-15-12-4-2-3-9(12)8-17-13/h9-12H,2-8H2,1H3,(H,14,15).
What are the key properties of N-(3-methoxycyclopentyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
N-(3-methoxycyclopentyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclopentyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is sourced from PubChem (CID 106363918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).