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

C12H20N2S — CID 106363703

IUPACN-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCC1(NC2=NC3CCCC3CS2)CCC1
InChIInChI=1S/C12H20N2S/c1-12(6-3-7-12)14-11-13-10-5-2-4-9(10)8-15-11/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyZSNRDXZCYYUSNI-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.79
Rot. Bonds1

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

N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (PubChem CID 106363703) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
PubChem CID106363703
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCC1(NC2=NC3CCCC3CS2)CCC1
InChIInChI=1S/C12H20N2S/c1-12(6-3-7-12)14-11-13-10-5-2-4-9(10)8-15-11/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyZSNRDXZCYYUSNI-UHFFFAOYSA-N
XLogP2.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The IUPAC name of N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (CID 106363703) is N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.
What is the SMILES notation for N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The canonical SMILES for N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is CC1(NC2=NC3CCCC3CS2)CCC1.
What is the InChIKey of N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The InChIKey is ZSNRDXZCYYUSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-12(6-3-7-12)14-11-13-10-5-2-4-9(10)8-15-11/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine has a molecular weight of 224.37 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is sourced from PubChem (CID 106363703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).