2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole

C14H27NS — CID 70953573

IUPAC2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole
SMILESCCC1CC2CCSCC2N1C(C)(C)CC
InChIInChI=1S/C14H27NS/c1-5-12-9-11-7-8-16-10-13(11)15(12)14(3,4)6-2/h11-13H,5-10H2,1-4H3
InChIKeyLYTWZJYTVKTQTI-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.78
Rot. Bonds3

About 2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole

2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole (PubChem CID 70953573) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole.

Molecular Properties

Compound Name2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole
PubChem CID70953573
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole
SMILESCCC1CC2CCSCC2N1C(C)(C)CC
InChIInChI=1S/C14H27NS/c1-5-12-9-11-7-8-16-10-13(11)15(12)14(3,4)6-2/h11-13H,5-10H2,1-4H3
InChIKeyLYTWZJYTVKTQTI-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole?
The IUPAC name of 2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole (CID 70953573) is 2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole.
What is the SMILES notation for 2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole?
The canonical SMILES for 2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole is CCC1CC2CCSCC2N1C(C)(C)CC.
What is the InChIKey of 2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole?
The InChIKey is LYTWZJYTVKTQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-5-12-9-11-7-8-16-10-13(11)15(12)14(3,4)6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole?
2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole has a molecular weight of 241.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methylbutan-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-thiopyrano[3,4-b]pyrrole is sourced from PubChem (CID 70953573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).